1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide

C14H26N2O2 — CID 47986666

IUPAC1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-8-15-12(17)11-7-6-9-16(10-11)13(18)14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyACFFUPPUHOTXQL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide (PubChem CID 47986666) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
PubChem CID47986666
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-5-8-15-12(17)11-7-6-9-16(10-11)13(18)14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyACFFUPPUHOTXQL-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
(3S)-1-(2,2-dimethylpropanoyl)-N-[2-(2-methylsulfonylethoxy)ethyl]piperidine-3-carboxamide
CID 95776489
1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
CID 119762881
1-(2,2-dimethylpropanoyl)-N-(3-hydroxy-3-phenylpropyl)piperidine-3-carboxamide
CID 111471679
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide (CID 47986666) is 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is ACFFUPPUHOTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-8-15-12(17)11-7-6-9-16(10-11)13(18)14(2,3)4/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 47986666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).