N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H29N5O3S — CID 20862174

IUPACN-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H29N5O3S/c23-17(19-7-11-21-8-3-1-2-4-9-21)15-6-5-10-22(13-15)26(24,25)16-12-18-14-20-16/h12,14-15H,1-11,13H2,(H,18,20)(H,19,23)
InChIKeyUUDFPSFFXQYDGN-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.80
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 20862174) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID20862174
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H29N5O3S/c23-17(19-7-11-21-8-3-1-2-4-9-21)15-6-5-10-22(13-15)26(24,25)16-12-18-14-20-16/h12,14-15H,1-11,13H2,(H,18,20)(H,19,23)
InChIKeyUUDFPSFFXQYDGN-UHFFFAOYSA-N
XLogP0.80
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 15998160
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308846
N-cyclohexyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308847
N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856449
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5307779
N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308293
N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308473
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-3-yl]carbonyl}-3,5-dimethylpiperidine
CID 16194491

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 20862174) is N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NCCN1CCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is UUDFPSFFXQYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c23-17(19-7-11-21-8-3-1-2-4-9-21)15-6-5-10-22(13-15)26(24,25)16-12-18-14-20-16/h12,14-15H,1-11,13H2,(H,18,20)(H,19,23).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 20862174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).