[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

C24H29N3O4 — CID 26361591

IUPAC[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H29N3O4/c28-24(27-11-13-29-14-12-27)19-2-4-21(5-3-19)26-9-7-20(8-10-26)25-16-18-1-6-22-23(15-18)31-17-30-22/h1-6,15,20,25H,7-14,16-17H2
InChIKeyFRPZNWNWNSSTPM-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.65
Rot. Bonds5

About [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 26361591) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID26361591
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1)N1CCOCC1
InChIInChI=1S/C24H29N3O4/c28-24(27-11-13-29-14-12-27)19-2-4-21(5-3-19)26-9-7-20(8-10-26)25-16-18-1-6-22-23(15-18)31-17-30-22/h1-6,15,20,25H,7-14,16-17H2
InChIKeyFRPZNWNWNSSTPM-UHFFFAOYSA-N
XLogP2.65
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 127233403
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 42278318
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530919
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)piperidin-4-amine
CID 154795447
N-(1,3-benzodioxol-5-ylmethyl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133289
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-phenylmethanone
CID 113079599
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone (CID 26361591) is [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(N2CCC(NCc3ccc4c(c3)OCO4)CC2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is FRPZNWNWNSSTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-24(27-11-13-29-14-12-27)19-2-4-21(5-3-19)26-9-7-20(8-10-26)25-16-18-1-6-22-23(15-18)31-17-30-22/h1-6,15,20,25H,7-14,16-17H2.
What are the key properties of [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 423.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26361591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).