3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C12H18N2O2S — CID 134056824

IUPAC3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C12H18N2O2S/c15-9-10-3-1-5-14(8-10)12(16)13-7-11-4-2-6-17-11/h2,4,6,10,15H,1,3,5,7-9H2,(H,13,16)
InChIKeyZUZNPFCWBVJIAT-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.66
Rot. Bonds3

About 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 134056824) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID134056824
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C12H18N2O2S/c15-9-10-3-1-5-14(8-10)12(16)13-7-11-4-2-6-17-11/h2,4,6,10,15H,1,3,5,7-9H2,(H,13,16)
InChIKeyZUZNPFCWBVJIAT-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
4-[1-(thiophen-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 72899575
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
(3S)-3-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)azepane-1-carboxamide
CID 99876754
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 110922235
3-pyrazin-2-yloxy-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 91627924

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 134056824) is 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccs1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is ZUZNPFCWBVJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-9-10-3-1-5-14(8-10)12(16)13-7-11-4-2-6-17-11/h2,4,6,10,15H,1,3,5,7-9H2,(H,13,16).
What are the key properties of 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 134056824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).