3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one

C23H27N3O2 — CID 155351853

IUPAC3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CCCCC3Cc3ccccc3)cn(C)c12
InChIInChI=1S/C23H27N3O2/c1-16-14-25(3)23(28)20-19(15-24(2)21(16)20)22(27)26-12-8-7-11-18(26)13-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3
InChIKeyYDDBDHGLDONEBV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.42
Rot. Bonds3

About 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one

3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 155351853) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
PubChem CID155351853
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2c(C(=O)N3CCCCC3Cc3ccccc3)cn(C)c12
InChIInChI=1S/C23H27N3O2/c1-16-14-25(3)23(28)20-19(15-24(2)21(16)20)22(27)26-12-8-7-11-18(26)13-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3
InChIKeyYDDBDHGLDONEBV-UHFFFAOYSA-N
XLogP3.42
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5,7-trimethyl-3-(2-phenylazetidine-1-carbonyl)pyrrolo[3,2-c]pyridin-4-one
CID 155351753
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
(4-amino-1-methylpyrrol-2-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 61106055
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
methyl 2-benzylazepane-1-carboxylate
CID 102314657
3-(2-benzylpyrrolidine-1-carbonyl)-5,6-dihydro-4H-1-benzothiophen-7-one
CID 91111967
1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 155372604
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
[(2S)-2-benzylpiperidin-1-yl]-[4-[(R)-methylsulfinyl]phenyl]methanone
CID 95637474

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one (CID 155351853) is 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one is Cc1cn(C)c(=O)c2c(C(=O)N3CCCCC3Cc3ccccc3)cn(C)c12.
What is the InChIKey of 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YDDBDHGLDONEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-14-25(3)23(28)20-19(15-24(2)21(16)20)22(27)26-12-8-7-11-18(26)13-17-9-5-4-6-10-17/h4-6,9-10,14-15,18H,7-8,11-13H2,1-3H3.
What are the key properties of 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one?
3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 377.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylpiperidine-1-carbonyl)-1,5,7-trimethylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155351853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).