N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide

C17H26N2O — CID 63130370

IUPACN-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-12-19(13-15-8-5-4-6-9-15)16(20)17(2)10-7-11-18-14-17/h4-6,8-9,18H,3,7,10-14H2,1-2H3
InChIKeyFBINSEJFGCBVDY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide

N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 63130370) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID63130370
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)C1(C)CCCNC1
InChIInChI=1S/C17H26N2O/c1-3-12-19(13-15-8-5-4-6-9-15)16(20)17(2)10-7-11-18-14-17/h4-6,8-9,18H,3,7,10-14H2,1-2H3
InChIKeyFBINSEJFGCBVDY-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63143620
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
N-[(4-ethylphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide;hydrochloride
CID 119943770
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
CID 80662849
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-3-carboxamide
CID 63131141
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N,N-bis(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 63130592
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide (CID 63130370) is N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide is CCCN(Cc1ccccc1)C(=O)C1(C)CCCNC1.
What is the InChIKey of N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is FBINSEJFGCBVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-12-19(13-15-8-5-4-6-9-15)16(20)17(2)10-7-11-18-14-17/h4-6,8-9,18H,3,7,10-14H2,1-2H3.
What are the key properties of N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide?
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).