[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone

C26H35N5O3 — CID 121389874

IUPAC[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
SMILESCC(C)(C)OC1CCN(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C26H35N5O3/c1-26(2,3)34-21-8-11-30(12-9-21)25(32)31-18-19-5-4-10-27-24(19)28-22-7-6-20(17-23(22)31)29-13-15-33-16-14-29/h4-7,10,17,21H,8-9,11-16,18H2,1-3H3,(H,27,28)
InChIKeySNYMHFKKYDUNCA-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.38
Rot. Bonds2

About [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone

[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone (PubChem CID 121389874) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
PubChem CID121389874
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
SMILESCC(C)(C)OC1CCN(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1
InChIInChI=1S/C26H35N5O3/c1-26(2,3)34-21-8-11-30(12-9-21)25(32)31-18-19-5-4-10-27-24(19)28-22-7-6-20(17-23(22)31)29-13-15-33-16-14-29/h4-7,10,17,21H,8-9,11-16,18H2,1-3H3,(H,27,28)
InChIKeySNYMHFKKYDUNCA-UHFFFAOYSA-N
XLogP4.38
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone with MolForge

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Related Compounds

[8-(4-methoxypiperidin-1-yl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methanone
CID 146175086
(8-methoxy-3-bicyclo[3.2.1]octanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121383119
[4-(methoxymethyl)cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389585
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[(2R)-oxan-2-yl]methanone
CID 154974372
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[4-(2,2,2-trifluoroethoxy)cyclohexyl]methanone
CID 121389497
(2-hydroxyspiro[3.3]heptan-6-yl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 177371385
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanone
CID 121389831
[(1R,2S,4R,5S)-4-ethyl-2,5-dimethylcyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 146175039
[(1R,3S,4R)-4-ethyl-3-(trifluoromethyl)cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 146174900
[4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389634
[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389803
[4-(difluoromethoxymethyl)cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 162575806

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone (CID 121389874) is [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone is CC(C)(C)OC1CCN(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
The InChIKey is SNYMHFKKYDUNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-26(2,3)34-21-8-11-30(12-9-21)25(32)31-18-19-5-4-10-27-24(19)28-22-7-6-20(17-23(22)31)29-13-15-33-16-14-29/h4-7,10,17,21H,8-9,11-16,18H2,1-3H3,(H,27,28).
What are the key properties of [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone?
[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone has a molecular weight of 465.60 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone is sourced from PubChem (CID 121389874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).