4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide

C13H26N2O — CID 116654160

IUPAC4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide
SMILESCCCN(C(=O)N1CCC(C)CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-8-15(11(2)3)13(16)14-9-6-12(4)7-10-14/h11-12H,5-10H2,1-4H3
InChIKeyLJNLNINORLKPEZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide

4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide (PubChem CID 116654160) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide
PubChem CID116654160
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide
SMILESCCCN(C(=O)N1CCC(C)CC1)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-8-15(11(2)3)13(16)14-9-6-12(4)7-10-14/h11-12H,5-10H2,1-4H3
InChIKeyLJNLNINORLKPEZ-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyanomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79159255
N-(2-amino-2-sulfanylideneethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79160527
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylpiperidine-1-carboxamide
CID 79162308
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 62020113
N-(1-methoxypropan-2-yl)-N,4-dimethylpiperidine-1-carboxamide
CID 116654677
N-(2-aminoethyl)-N-cyclopentyl-4-methylpiperidine-1-carboxamide
CID 79159728
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
CID 106629827
N-(3-aminopropyl)-N-cyclopentyl-4-methylpiperidine-1-carboxamide
CID 79159615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide (CID 116654160) is 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide is CCCN(C(=O)N1CCC(C)CC1)C(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide?
The InChIKey is LJNLNINORLKPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8-15(11(2)3)13(16)14-9-6-12(4)7-10-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide?
4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 116654160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).