N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide

C17H26N2O2 — CID 107231254

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(CO)cc2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-8-17(9-3-10-18-13-17)16(21)19-11-14-4-6-15(12-20)7-5-14/h4-7,18,20H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyLHDHAYKIDSVLMP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds6

About N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 107231254) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
PubChem CID107231254
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(CO)cc2)CCCNC1
InChIInChI=1S/C17H26N2O2/c1-2-8-17(9-3-10-18-13-17)16(21)19-11-14-4-6-15(12-20)7-5-14/h4-7,18,20H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyLHDHAYKIDSVLMP-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-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-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide (CID 107231254) is N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2ccc(CO)cc2)CCCNC1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is LHDHAYKIDSVLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-8-17(9-3-10-18-13-17)16(21)19-11-14-4-6-15(12-20)7-5-14/h4-7,18,20H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 107231254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).