N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide

C19H27F2N3O3S — CID 133287695

IUPACN-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C19H27F2N3O3S/c1-14(18(25)22-15-4-2-3-5-15)23-10-12-24(13-11-23)16-6-8-17(9-7-16)28(26,27)19(20)21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,22,25)
InChIKeyHUBUKPDMMVUQSF-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.25
Rot. Bonds6

About N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide (PubChem CID 133287695) has the molecular formula C19H27F2N3O3S and a molecular weight of 415.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
PubChem CID133287695
Molecular FormulaC19H27F2N3O3S
Molecular Weight415.51 g/mol
Exact Mass415.17
IUPAC NameN-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C19H27F2N3O3S/c1-14(18(25)22-15-4-2-3-5-15)23-10-12-24(13-11-23)16-6-8-17(9-7-16)28(26,27)19(20)21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,22,25)
InChIKeyHUBUKPDMMVUQSF-UHFFFAOYSA-N
XLogP2.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 133293489
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 8703916
(2R)-N-cyclopentyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 30796038
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49432488

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide (CID 133287695) is N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide?
The InChIKey is HUBUKPDMMVUQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3S/c1-14(18(25)22-15-4-2-3-5-15)23-10-12-24(13-11-23)16-6-8-17(9-7-16)28(26,27)19(20)21/h6-9,14-15,19H,2-5,10-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide has a molecular weight of 415.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 133287695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).