N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C16H29N3O3S — CID 3235968

IUPACN-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-15-6-2-3-7-15)14-8-12-19(13-9-14)23(21,22)18-10-4-1-5-11-18/h14-15H,1-13H2,(H,17,20)
InChIKeyAPXSEKISZHXXEE-UHFFFAOYSA-N
MW343.49 g/mol
LogP1.49
Rot. Bonds4

About N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3235968) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3235968
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H29N3O3S/c20-16(17-15-6-2-3-7-15)14-8-12-19(13-9-14)23(21,22)18-10-4-1-5-11-18/h14-15H,1-13H2,(H,17,20)
InChIKeyAPXSEKISZHXXEE-UHFFFAOYSA-N
XLogP1.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3235968) is N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is APXSEKISZHXXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c20-16(17-15-6-2-3-7-15)14-8-12-19(13-9-14)23(21,22)18-10-4-1-5-11-18/h14-15H,1-13H2,(H,17,20).
What are the key properties of N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3235968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).