N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

C15H27N3O3S — CID 3259781

IUPACN-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C15H27N3O3S/c19-15(16-14-7-1-2-8-14)13-6-5-11-18(12-13)22(20,21)17-9-3-4-10-17/h13-14H,1-12H2,(H,16,19)
InChIKeyQXCBUBDLSWAYCG-UHFFFAOYSA-N
MW329.47 g/mol
LogP1.10
Rot. Bonds4

About N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide

N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3259781) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID3259781
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC NameN-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C15H27N3O3S/c19-15(16-14-7-1-2-8-14)13-6-5-11-18(12-13)22(20,21)17-9-3-4-10-17/h13-14H,1-12H2,(H,16,19)
InChIKeyQXCBUBDLSWAYCG-UHFFFAOYSA-N
XLogP1.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide (CID 3259781) is N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is QXCBUBDLSWAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c19-15(16-14-7-1-2-8-14)13-6-5-11-18(12-13)22(20,21)17-9-3-4-10-17/h13-14H,1-12H2,(H,16,19).
What are the key properties of N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3259781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).