N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C15H22N2O3S — CID 110886255

IUPACN-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-12(10-18)16-14(19)11-5-3-7-17(9-11)15(20)13-6-4-8-21-13/h4,6,8,11-12,18H,2-3,5,7,9-10H2,1H3,(H,16,19)
InChIKeyLZXKNJGAJAFMCH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.49
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 110886255) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID110886255
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-12(10-18)16-14(19)11-5-3-7-17(9-11)15(20)13-6-4-8-21-13/h4,6,8,11-12,18H,2-3,5,7,9-10H2,1H3,(H,16,19)
InChIKeyLZXKNJGAJAFMCH-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 129376970
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 110886255) is N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCC(CO)NC(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is LZXKNJGAJAFMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-12(10-18)16-14(19)11-5-3-7-17(9-11)15(20)13-6-4-8-21-13/h4,6,8,11-12,18H,2-3,5,7,9-10H2,1H3,(H,16,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110886255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).