N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide

C17H26N2O — CID 63128555

IUPACN-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C)c2)CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-7-17(8-10-18-11-9-17)16(20)19-13-15-6-4-5-14(2)12-15/h4-6,12,18H,3,7-11,13H2,1-2H3,(H,19,20)
InChIKeyIDSHLQWLKJWQPX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 63128555) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID63128555
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(C)c2)CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-7-17(8-10-18-11-9-17)16(20)19-13-15-6-4-5-14(2)12-15/h4-6,12,18H,3,7-11,13H2,1-2H3,(H,19,20)
InChIKeyIDSHLQWLKJWQPX-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041
N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
1-N,1-N'-bis[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide (CID 63128555) is N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCc2cccc(C)c2)CCNCC1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is IDSHLQWLKJWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-7-17(8-10-18-11-9-17)16(20)19-13-15-6-4-5-14(2)12-15/h4-6,12,18H,3,7-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide?
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63128555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).