6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

C58H68N8O6 — CID 158193385

IUPAC6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESCCCCN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)C1.O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCCNC4)cc2C3)[nH]1
InChIInChI=1S/C31H38N4O3.C27H30N4O3/c1-2-3-11-34-12-5-7-25(21-34)32-24-9-10-29-23(18-24)17-22-6-4-8-27(31(22)38-29)28-19-26(20-30(36)33-28)35-13-15-37-16-14-35;32-26-16-22(31-9-11-33-12-10-31)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)34-27(18)23)29-21-4-2-8-28-17-21/h4,6,8-10,18-20,25,32H,2-3,5,7,11-17,21H2,1H3,(H,33,36);1,3,5-7,14-16,21,28-29H,2,4,8-13,17H2,(H,30,32)
InChIKeyGAARAVVBUIEMHS-UHFFFAOYSA-N
MW973.23 g/mol
LogP8.99
Rot. Bonds11

About 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 158193385) has the molecular formula C58H68N8O6 and a molecular weight of 973.23 g/mol. Its IUPAC name is 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
PubChem CID158193385
Molecular FormulaC58H68N8O6
Molecular Weight973.23 g/mol
Exact Mass972.53
IUPAC Name6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESCCCCN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)C1.O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCCNC4)cc2C3)[nH]1
InChIInChI=1S/C31H38N4O3.C27H30N4O3/c1-2-3-11-34-12-5-7-25(21-34)32-24-9-10-29-23(18-24)17-22-6-4-8-27(31(22)38-29)28-19-26(20-30(36)33-28)35-13-15-37-16-14-35;32-26-16-22(31-9-11-33-12-10-31)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)34-27(18)23)29-21-4-2-8-28-17-21/h4,6,8-10,18-20,25,32H,2-3,5,7,11-17,21H2,1H3,(H,33,36);1,3,5-7,14-16,21,28-29H,2,4,8-13,17H2,(H,30,32)
InChIKeyGAARAVVBUIEMHS-UHFFFAOYSA-N
XLogP8.99
TPSA148.45 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.23
LogP ≤ 58.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-(2-(7-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-6-oxopiperazin-2-yl)methoxy)-2,3,4,4a-tetrahydroquinolin-1(8aH)-yl)ethyl)acetamide
CID 52944649
N-(2-(7-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)piperazin-2-yl)methoxy)-2,3,4,4a-tetrahydroquinolin-1(8aH)-yl)ethyl)acetamide
CID 52949576
(R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-6-(3-methyl-benzyloxymethyl)-piperazin-2-one
CID 44402907
3-fluoro-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
CID 121394024
3-[2-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394148
4-[2-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394151
6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394153
6-[3-fluoro-7-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394184
6-(7-amino-3-fluoro-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394202
3-[2-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394293
4-[2-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]morpholin-4-yl]-1H-pyridin-2-one
CID 121394295
6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394297

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 158193385) is 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is CCCCN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)C1.O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCCNC4)cc2C3)[nH]1.
What is the InChIKey of 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is GAARAVVBUIEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3.C27H30N4O3/c1-2-3-11-34-12-5-7-25(21-34)32-24-9-10-29-23(18-24)17-22-6-4-8-27(31(22)38-29)28-19-26(20-30(36)33-28)35-13-15-37-16-14-35;32-26-16-22(31-9-11-33-12-10-31)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)34-27(18)23)29-21-4-2-8-28-17-21/h4,6,8-10,18-20,25,32H,2-3,5,7,11-17,21H2,1H3,(H,33,36);1,3,5-7,14-16,21,28-29H,2,4,8-13,17H2,(H,30,32).
What are the key properties of 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 973.23 g/mol, XLogP of 8.99, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(1-butylpiperidin-3-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-3-ylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158193385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).