N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid

C17H32N2O3S — CID 154909119

IUPACN-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
SMILESCSCCC(=O)NCCC1CCCCN1C1CCCC1.O=CO
InChIInChI=1S/C16H30N2OS.CH2O2/c1-20-13-10-16(19)17-11-9-15-8-4-5-12-18(15)14-6-2-3-7-14;2-1-3/h14-15H,2-13H2,1H3,(H,17,19);1H,(H,2,3)
InChIKeyQJBKXMQPDAKLOM-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid

N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid (PubChem CID 154909119) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid.

Molecular Properties

Compound NameN-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
PubChem CID154909119
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
SMILESCSCCC(=O)NCCC1CCCCN1C1CCCC1.O=CO
InChIInChI=1S/C16H30N2OS.CH2O2/c1-20-13-10-16(19)17-11-9-15-8-4-5-12-18(15)14-6-2-3-7-14;2-1-3/h14-15H,2-13H2,1H3,(H,17,19);1H,(H,2,3)
InChIKeyQJBKXMQPDAKLOM-UHFFFAOYSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
CID 154910365
4-[2-(1-cyclopentylpiperidin-2-yl)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 118786993
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233
formic acid;N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]-2-methylsulfanylacetamide
CID 154907108
N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
N-[2-[(2S)-1-cyclopentylpiperidin-2-yl]ethyl]-3,5-dimethylimidazole-4-carboxamide
CID 125161016
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
CID 166229765
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
1-(1-cyclohexylpyrrolidin-2-yl)propan-2-one
CID 79546496

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid?
The IUPAC name of N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid (CID 154909119) is N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid.
What is the SMILES notation for N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid?
The canonical SMILES for N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid is CSCCC(=O)NCCC1CCCCN1C1CCCC1.O=CO.
What is the InChIKey of N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid?
The InChIKey is QJBKXMQPDAKLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS.CH2O2/c1-20-13-10-16(19)17-11-9-15-8-4-5-12-18(15)14-6-2-3-7-14;2-1-3/h14-15H,2-13H2,1H3,(H,17,19);1H,(H,2,3).
What are the key properties of N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid?
N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid has a molecular weight of 344.52 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid is sourced from PubChem (CID 154909119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).