3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

C15H27N3O2 — CID 60756295

IUPAC3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-16(2)15(20)18-11-7-8-13(12-18)14(19)17-9-5-3-4-6-10-17/h13H,3-12H2,1-2H3
InChIKeyRTKHDWNTZFVYCP-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds1

About 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 60756295) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID60756295
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-16(2)15(20)18-11-7-8-13(12-18)14(19)17-9-5-3-4-6-10-17/h13H,3-12H2,1-2H3
InChIKeyRTKHDWNTZFVYCP-UHFFFAOYSA-N
XLogP1.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 97191479
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 60756295) is 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCCC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is RTKHDWNTZFVYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-16(2)15(20)18-11-7-8-13(12-18)14(19)17-9-5-3-4-6-10-17/h13H,3-12H2,1-2H3.
What are the key properties of 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 60756295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).