N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H22N2O3S — CID 136580816

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H22N2O3S/c22-13-15(14-7-2-1-3-8-14)20-18(23)16-9-4-5-11-21(16)19(24)17-10-6-12-25-17/h1-3,6-8,10,12,15-16,22H,4-5,9,11,13H2,(H,20,23)/t15-,16?/m1/s1
InChIKeySRRIRBXHJWARIG-AAFJCEBUSA-N
MW358.46 g/mol
LogP2.59
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 136580816) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID136580816
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H22N2O3S/c22-13-15(14-7-2-1-3-8-14)20-18(23)16-9-4-5-11-21(16)19(24)17-10-6-12-25-17/h1-3,6-8,10,12,15-16,22H,4-5,9,11,13H2,(H,20,23)/t15-,16?/m1/s1
InChIKeySRRIRBXHJWARIG-AAFJCEBUSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.59
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
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
2-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119224134
N-(2-amino-1-cyclohexylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119589432
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2R)-4-methyl-2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 119364822
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-[1-(4-bromophenyl)propan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 112827070
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 136580816) is N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(N[C@H](CO)c1ccccc1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is SRRIRBXHJWARIG-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-13-15(14-7-2-1-3-8-14)20-18(23)16-9-4-5-11-21(16)19(24)17-10-6-12-25-17/h1-3,6-8,10,12,15-16,22H,4-5,9,11,13H2,(H,20,23)/t15-,16?/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 136580816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).