1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide

C19H26N2O2S — CID 37400587

IUPAC1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C19H26N2O2S/c1-14(22)21-12-10-15(11-13-21)19(23)20-16-6-8-18(9-7-16)24-17-4-2-3-5-17/h6-9,15,17H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyFHPNUIKGZDUHKA-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.92
Rot. Bonds4

About 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide

1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 37400587) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID37400587
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C19H26N2O2S/c1-14(22)21-12-10-15(11-13-21)19(23)20-16-6-8-18(9-7-16)24-17-4-2-3-5-17/h6-9,15,17H,2-5,10-13H2,1H3,(H,20,23)
InChIKeyFHPNUIKGZDUHKA-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-(4-cyclopentylsulfanylphenyl)cyclohex-3-ene-1-carboxamide
CID 42955855
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
1-acetyl-N-[4-(1,3-dioxolan-2-yl)phenyl]piperidine-4-carboxamide
CID 110745350
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide (CID 37400587) is 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1.
What is the InChIKey of 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is FHPNUIKGZDUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14(22)21-12-10-15(11-13-21)19(23)20-16-6-8-18(9-7-16)24-17-4-2-3-5-17/h6-9,15,17H,2-5,10-13H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 37400587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).