3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

C29H37N3O — CID 142579389

IUPAC3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCC3)c3ccccc23)c1
InChIInChI=1S/C29H37N3O/c1-21-7-6-10-23(17-21)26(18-29(33)31-24-13-15-30-16-14-24)27-20-32(19-22-8-2-3-9-22)28-12-5-4-11-25(27)28/h4-7,10-12,17,20,22,24,26,30H,2-3,8-9,13-16,18-19H2,1H3,(H,31,33)
InChIKeyOGCJANMJMSEIFB-UHFFFAOYSA-N
MW443.64 g/mol
LogP5.53
Rot. Bonds7

About 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide

3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (PubChem CID 142579389) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
PubChem CID142579389
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
SMILESCc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCC3)c3ccccc23)c1
InChIInChI=1S/C29H37N3O/c1-21-7-6-10-23(17-21)26(18-29(33)31-24-13-15-30-16-14-24)27-20-32(19-22-8-2-3-9-22)28-12-5-4-11-25(27)28/h4-7,10-12,17,20,22,24,26,30H,2-3,8-9,13-16,18-19H2,1H3,(H,31,33)
InChIKeyOGCJANMJMSEIFB-UHFFFAOYSA-N
XLogP5.53
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[1-(cyclohexylmethyl)indol-3-yl]-N-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-3-(3-methylphenyl)propanamide
CID 142579603
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488
N-cyclohexyl-3-[1-(cyclohexylmethyl)-5-methoxyindol-3-yl]-3-(3-methylphenyl)propanamide
CID 142579601
N-(4-aminocyclohexyl)-3-[5-cyano-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 162459873
1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
1-(4-aminocyclohexyl)-4-(3-methylphenyl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]butan-2-one;methane
CID 160968186
3-(1-benzylpyrrolo[2,3-c]pyridin-3-yl)-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579489
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)-5-pyridin-4-ylindol-3-yl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 166691495
N-(4-aminocyclohexyl)-3-[1-(cyclohexylmethyl)indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 166691579
4-[1-[(4,4-difluorocyclohexyl)methyl]indol-3-yl]-4-(3-methylphenyl)-1-piperidin-4-ylbutan-2-one;hydrochloride
CID 162258923

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide (CID 142579389) is 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is Cc1cccc(C(CC(=O)NC2CCNCC2)c2cn(CC3CCCC3)c3ccccc23)c1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
The InChIKey is OGCJANMJMSEIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-21-7-6-10-23(17-21)26(18-29(33)31-24-13-15-30-16-14-24)27-20-32(19-22-8-2-3-9-22)28-12-5-4-11-25(27)28/h4-7,10-12,17,20,22,24,26,30H,2-3,8-9,13-16,18-19H2,1H3,(H,31,33).
What are the key properties of 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide?
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide has a molecular weight of 443.64 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 142579389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).