(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C14H20N2O2S — CID 39977852

IUPAC(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C14H20N2O2S/c1-2-7-15-13(17)11-5-3-8-16(10-11)14(18)12-6-4-9-19-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyUBQIGBLGOUMDFU-NSHDSACASA-N
MW280.39 g/mol
LogP2.13
Rot. Bonds4

About (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 39977852) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID39977852
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C14H20N2O2S/c1-2-7-15-13(17)11-5-3-8-16(10-11)14(18)12-6-4-9-19-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyUBQIGBLGOUMDFU-NSHDSACASA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[3-(ethylsulfonylamino)propyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47088317
N-propyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxamide
CID 49401377
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-(3-cyclopentylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057667
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-[(5-methylthiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 71941255
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117

Frequently Asked Questions

What is the IUPAC name of (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 39977852) is (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is UBQIGBLGOUMDFU-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-7-15-13(17)11-5-3-8-16(10-11)14(18)12-6-4-9-19-12/h4,6,9,11H,2-3,5,7-8,10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 39977852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).