3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide

C17H24N4O4S — CID 56795798

IUPAC3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
SMILESO=C1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cn2)CCN1
InChIInChI=1S/C17H24N4O4S/c22-16(7-10-26(24,25)14-3-1-2-4-14)20-13-5-6-15(19-11-13)21-9-8-18-17(23)12-21/h5-6,11,14H,1-4,7-10,12H2,(H,18,23)(H,20,22)
InChIKeyPWHMHKBTROHQPG-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.70
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide

3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 56795798) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
PubChem CID56795798
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
SMILESO=C1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cn2)CCN1
InChIInChI=1S/C17H24N4O4S/c22-16(7-10-26(24,25)14-3-1-2-4-14)20-13-5-6-15(19-11-13)21-9-8-18-17(23)12-21/h5-6,11,14H,1-4,7-10,12H2,(H,18,23)(H,20,22)
InChIKeyPWHMHKBTROHQPG-UHFFFAOYSA-N
XLogP0.70
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide (CID 56795798) is 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide is O=C1CN(c2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cn2)CCN1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide?
The InChIKey is PWHMHKBTROHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c22-16(7-10-26(24,25)14-3-1-2-4-14)20-13-5-6-15(19-11-13)21-9-8-18-17(23)12-21/h5-6,11,14H,1-4,7-10,12H2,(H,18,23)(H,20,22).
What are the key properties of 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide?
3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 56795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).