3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide

C30H34N6O2 — CID 66786669

IUPAC3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccncc4)cc3)C2)nc2ccccc21
InChIInChI=1S/C30H34N6O2/c31-25(18-21-7-9-22(10-8-21)23-11-14-33-15-12-23)19-29(38)35-16-3-4-24(20-35)30-34-26-5-1-2-6-27(26)36(30)17-13-28(32)37/h1-2,5-12,14-15,24-25H,3-4,13,16-20,31H2,(H2,32,37)
InChIKeyRDSCFCSVZUMCFV-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.64
Rot. Bonds9

About 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide

3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide (PubChem CID 66786669) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide
PubChem CID66786669
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide
SMILESNC(=O)CCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccncc4)cc3)C2)nc2ccccc21
InChIInChI=1S/C30H34N6O2/c31-25(18-21-7-9-22(10-8-21)23-11-14-33-15-12-23)19-29(38)35-16-3-4-24(20-35)30-34-26-5-1-2-6-27(26)36(30)17-13-28(32)37/h1-2,5-12,14-15,24-25H,3-4,13,16-20,31H2,(H2,32,37)
InChIKeyRDSCFCSVZUMCFV-UHFFFAOYSA-N
XLogP3.64
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[1-[3-amino-4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide
CID 66785041
3-[2-[(3R)-1-[(3R)-3-amino-4-[4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide
CID 56933389
3-amino-1-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-(4-phenylphenyl)butan-1-one
CID 66784449
(3R)-3-amino-4-[4-(4-aminophenyl)phenyl]-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]butan-1-one
CID 66784798
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-[4-(4-methylphenyl)phenyl]butan-1-one
CID 66791573
4-[4-[2-amino-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]benzonitrile
CID 66786711
N-[2-[2-[1-[3-amino-4-[4-(6-amino-3-pyridinyl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
CID 66784982
methyl N-[4-[4-[2-amino-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]phenyl]carbamate
CID 66785969
4-[4-[2-amino-4-[3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-oxobutyl]phenyl]-N-(2-methoxyethyl)benzamide
CID 66785546
(3R)-3-amino-1-[(3R)-3-(1-butylbenzimidazol-2-yl)piperidin-1-yl]-4-[4-(4-phenylpiperazin-1-yl)phenyl]butan-1-one
CID 66791557
N-[2-[2-[(3R)-1-[(3R)-3-amino-4-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]butanoyl]piperidin-3-yl]benzimidazol-1-yl]ethyl]acetamide
CID 66786086
(3R)-3-amino-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 66785129

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide?
The IUPAC name of 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide (CID 66786669) is 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide.
What is the SMILES notation for 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide?
The canonical SMILES for 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide is NC(=O)CCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccncc4)cc3)C2)nc2ccccc21.
What is the InChIKey of 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide?
The InChIKey is RDSCFCSVZUMCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c31-25(18-21-7-9-22(10-8-21)23-11-14-33-15-12-23)19-29(38)35-16-3-4-24(20-35)30-34-26-5-1-2-6-27(26)36(30)17-13-28(32)37/h1-2,5-12,14-15,24-25H,3-4,13,16-20,31H2,(H2,32,37).
What are the key properties of 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide?
3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide has a molecular weight of 510.64 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[3-amino-4-(4-pyridin-4-ylphenyl)butanoyl]piperidin-3-yl]benzimidazol-1-yl]propanamide is sourced from PubChem (CID 66786669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).