N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide

C21H29N3O — CID 144597472

IUPACN-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(C2=CNCC=C2)cc1
InChIInChI=1S/C21H29N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-12,17,22H,1-5,8,13-16H2,(H,23,25)
InChIKeyNAWBUGYONMPBAV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.78
Rot. Bonds7

About N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide

N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 144597472) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide
PubChem CID144597472
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(C2=CNCC=C2)cc1
InChIInChI=1S/C21H29N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-12,17,22H,1-5,8,13-16H2,(H,23,25)
InChIKeyNAWBUGYONMPBAV-UHFFFAOYSA-N
XLogP3.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
CID 118735725
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide
CID 59036107
N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 163813685
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide (CID 144597472) is N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide is O=C(CCCCN1CCCCC1)Nc1ccc(C2=CNCC=C2)cc1.
What is the InChIKey of N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide?
The InChIKey is NAWBUGYONMPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-12,17,22H,1-5,8,13-16H2,(H,23,25).
What are the key properties of N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide?
N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 339.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydropyridin-5-yl)phenyl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 144597472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).