3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide

C12H17ClN2O2S — CID 129486594

IUPAC3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCN1CCC(O)(CNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-15-5-3-12(17,4-6-15)8-14-11(16)10-9(13)2-7-18-10/h2,7,17H,3-6,8H2,1H3,(H,14,16)
InChIKeyNZAIQTAEJHRTCJ-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.59
Rot. Bonds3

About 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide

3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 129486594) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID129486594
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCN1CCC(O)(CNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-15-5-3-12(17,4-6-15)8-14-11(16)10-9(13)2-7-18-10/h2,7,17H,3-6,8H2,1H3,(H,14,16)
InChIKeyNZAIQTAEJHRTCJ-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-2-trimethylsilylfuran-3-carboxamide
CID 166375841
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
N-(3-amino-3-sulfanylidenepropyl)-3-chlorothiophene-2-carboxamide
CID 80644124
3-chloro-N-(4-cyanobutyl)thiophene-2-carboxamide
CID 80645274
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
3-[(3-chlorothiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 80645417

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide (CID 129486594) is 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide is CN1CCC(O)(CNC(=O)c2sccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NZAIQTAEJHRTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-15-5-3-12(17,4-6-15)8-14-11(16)10-9(13)2-7-18-10/h2,7,17H,3-6,8H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 288.80 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 129486594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).