3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide

C19H31N3O — CID 119953878

IUPAC3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
SMILESNC(CC(=O)NCCCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c20-18(17-10-4-1-5-11-17)16-19(23)21-12-6-2-7-13-22-14-8-3-9-15-22/h1,4-5,10-11,18H,2-3,6-9,12-16,20H2,(H,21,23)
InChIKeyKDXXEIFLSNDNMV-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.85
Rot. Bonds9

About 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide

3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide (PubChem CID 119953878) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
PubChem CID119953878
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
SMILESNC(CC(=O)NCCCCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N3O/c20-18(17-10-4-1-5-11-17)16-19(23)21-12-6-2-7-13-22-14-8-3-9-15-22/h1,4-5,10-11,18H,2-3,6-9,12-16,20H2,(H,21,23)
InChIKeyKDXXEIFLSNDNMV-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
4-[(3-amino-3-phenylpropanoyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119953883
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-3-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;dihydrochloride
CID 119953137
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide (CID 119953878) is 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide is NC(CC(=O)NCCCCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide?
The InChIKey is KDXXEIFLSNDNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c20-18(17-10-4-1-5-11-17)16-19(23)21-12-6-2-7-13-22-14-8-3-9-15-22/h1,4-5,10-11,18H,2-3,6-9,12-16,20H2,(H,21,23).
What are the key properties of 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide?
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide is sourced from PubChem (CID 119953878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).