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

C17H26N2O — CID 63132092

IUPACN-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(C)cc2)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-9-17(10-4-11-18-13-17)16(20)19-12-15-7-5-14(2)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,20)
InChIKeySRFAQGRNWKIFTG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63132092) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID63132092
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccc(C)cc2)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-9-17(10-4-11-18-13-17)16(20)19-12-15-7-5-14(2)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,20)
InChIKeySRFAQGRNWKIFTG-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-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
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
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-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide (CID 63132092) is N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2ccc(C)cc2)CCCNC1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is SRFAQGRNWKIFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-9-17(10-4-11-18-13-17)16(20)19-12-15-7-5-14(2)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-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-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63132092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).