1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide

C19H25N3O3S — CID 51246958

IUPAC1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H25N3O3S/c20-15-19(10-2-3-11-19)18(23)21-14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-14H2,(H,21,23)
InChIKeyBHKMOUZWKCIQRQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.56
Rot. Bonds5

About 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 51246958) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID51246958
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H25N3O3S/c20-15-19(10-2-3-11-19)18(23)21-14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-14H2,(H,21,23)
InChIKeyBHKMOUZWKCIQRQ-UHFFFAOYSA-N
XLogP2.56
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759228
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-(4-bromophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 112828630
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide (CID 51246958) is 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1.
What is the InChIKey of 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BHKMOUZWKCIQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c20-15-19(10-2-3-11-19)18(23)21-14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-14H2,(H,21,23).
What are the key properties of 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51246958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).