N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide

C16H24N2O2 — CID 119299643

IUPACN-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-8-6-13(7-9-15)4-2-11-18-16(19)14-5-3-10-17-12-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyDCHLDZTZPBVADZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds6

About N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide

N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide (PubChem CID 119299643) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
PubChem CID119299643
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-8-6-13(7-9-15)4-2-11-18-16(19)14-5-3-10-17-12-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyDCHLDZTZPBVADZ-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide 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

N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
(3S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]piperidine-3-carboxamide
CID 81133526
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
N-[2-(2,4,6-trimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119320836
N-[3-[[amino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752348
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide (CID 119299643) is N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide is COc1ccc(CCCNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is DCHLDZTZPBVADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-8-6-13(7-9-15)4-2-11-18-16(19)14-5-3-10-17-12-14/h6-9,14,17H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide?
N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 119299643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).