N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C14H22N4O3S — CID 5308473

IUPACN-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C14H22N4O3S/c19-14(17-12-5-1-2-6-12)11-4-3-7-18(9-11)22(20,21)13-8-15-10-16-13/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19)
InChIKeyCSQJECGNLUSDIT-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.87
Rot. Bonds4

About N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5308473) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5308473
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C14H22N4O3S/c19-14(17-12-5-1-2-6-12)11-4-3-7-18(9-11)22(20,21)13-8-15-10-16-13/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19)
InChIKeyCSQJECGNLUSDIT-UHFFFAOYSA-N
XLogP0.87
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5308473) is N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is CSQJECGNLUSDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c19-14(17-12-5-1-2-6-12)11-4-3-7-18(9-11)22(20,21)13-8-15-10-16-13/h8,10-12H,1-7,9H2,(H,15,16)(H,17,19).
What are the key properties of N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).