3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide

C15H24N2O2S — CID 111439039

IUPAC3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-11(8-14-6-5-12(2)20-14)16-15(19)17-7-3-4-13(9-17)10-18/h5-6,11,13,18H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyLVFCJZAYECCGTN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.40
Rot. Bonds4

About 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 111439039) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
PubChem CID111439039
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-11(8-14-6-5-12(2)20-14)16-15(19)17-7-3-4-13(9-17)10-18/h5-6,11,13,18H,3-4,7-10H2,1-2H3,(H,16,19)
InChIKeyLVFCJZAYECCGTN-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-amino-2-oxoethyl)-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide
CID 96522618
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
3-(hydroxymethyl)-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 110882612
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
CID 111118185
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
(3S)-3-methyl-N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-4-carboxamide
CID 95774049
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
N-[1-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901455

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide (CID 111439039) is 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide is Cc1ccc(CC(C)NC(=O)N2CCCC(CO)C2)s1.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is LVFCJZAYECCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(8-14-6-5-12(2)20-14)16-15(19)17-7-3-4-13(9-17)10-18/h5-6,11,13,18H,3-4,7-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 111439039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).