3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

C29H32N4O — CID 142579489

IUPAC3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(Cc3ccccc3)c3cnccc23)c1
InChIInChI=1S/C29H32N4O/c1-21-6-5-9-23(16-21)26(17-29(34)32-24-10-13-30-14-11-24)27-20-33(19-22-7-3-2-4-8-22)28-18-31-15-12-25(27)28/h2-9,12,15-16,18,20,24,26,30H,10-11,13-14,17,19H2,1H3,(H,32,34)
InChIKeyKYBUDIMXLZIESV-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.78
Rot. Bonds7

About 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (PubChem CID 142579489) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
PubChem CID142579489
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC Name3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(Cc3ccccc3)c3cnccc23)c1
InChIInChI=1S/C29H32N4O/c1-21-6-5-9-23(16-21)26(17-29(34)32-24-10-13-30-14-11-24)27-20-33(19-22-7-3-2-4-8-22)28-18-31-15-12-25(27)28/h2-9,12,15-16,18,20,24,26,30H,10-11,13-14,17,19H2,1H3,(H,32,34)
InChIKeyKYBUDIMXLZIESV-UHFFFAOYSA-N
XLogP4.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide;hydrochloride
CID 159593923
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579632
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
1-(7-benzylpyrrolo[2,3-d]pyrimidin-5-yl)-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one
CID 158911627
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
1-(1-benzylindol-3-yl)-1-(3-methylphenyl)-6-pyridin-4-ylhexan-3-one;hydrochloride
CID 157298072
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (CID 142579489) is 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(Cc3ccccc3)c3cnccc23)c1.
What is the InChIKey of 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The InChIKey is KYBUDIMXLZIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c1-21-6-5-9-23(16-21)26(17-29(34)32-24-10-13-30-14-11-24)27-20-33(19-22-7-3-2-4-8-22)28-18-31-15-12-25(27)28/h2-9,12,15-16,18,20,24,26,30H,10-11,13-14,17,19H2,1H3,(H,32,34).
What are the key properties of 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide has a molecular weight of 452.60 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 142579489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).