3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide

C19H29N3O — CID 109013734

IUPAC3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNC1CCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-19(12-13-20-16-6-2-3-7-16)21-17-8-10-18(11-9-17)22-14-4-1-5-15-22/h8-11,16,20H,1-7,12-15H2,(H,21,23)
InChIKeyMQKKJRPVLAXNMY-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.54
Rot. Bonds6

About 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide

3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 109013734) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID109013734
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCNC1CCCC1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-19(12-13-20-16-6-2-3-7-16)21-17-8-10-18(11-9-17)22-14-4-1-5-15-22/h8-11,16,20H,1-7,12-15H2,(H,21,23)
InChIKeyMQKKJRPVLAXNMY-UHFFFAOYSA-N
XLogP3.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 60926982
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-(azepan-1-yl)phenyl]propanamide
CID 9115899
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide (CID 109013734) is 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide is O=C(CCNC1CCCC1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is MQKKJRPVLAXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(12-13-20-16-6-2-3-7-16)21-17-8-10-18(11-9-17)22-14-4-1-5-15-22/h8-11,16,20H,1-7,12-15H2,(H,21,23).
What are the key properties of 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 315.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109013734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).