(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C15H22N2O3S — CID 97185302

IUPAC(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-2-11(10-18)16-14(19)12-6-3-4-8-17(12)15(20)13-7-5-9-21-13/h5,7,9,11-12,18H,2-4,6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyAJEZNQGREYJNLG-RYUDHWBXSA-N
MW310.42 g/mol
LogP1.63
Rot. Bonds5

About (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 97185302) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID97185302
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-2-11(10-18)16-14(19)12-6-3-4-8-17(12)15(20)13-7-5-9-21-13/h5,7,9,11-12,18H,2-4,6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyAJEZNQGREYJNLG-RYUDHWBXSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 136580816
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-heptan-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78768339
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
(2S)-N-[(2R)-octan-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 96563528
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 97185302) is (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is AJEZNQGREYJNLG-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-11(10-18)16-14(19)12-6-3-4-8-17(12)15(20)13-7-5-9-21-13/h5,7,9,11-12,18H,2-4,6,8,10H2,1H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 97185302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).