(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide

C12H18N2O2 — CID 120631128

IUPAC(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccco2)CCN1
InChIInChI=1S/C12H18N2O2/c1-9-7-10(4-5-13-9)12(15)14-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeySMMRITZOTWTUTJ-UWVGGRQHSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds3

About (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120631128) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
PubChem CID120631128
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccco2)CCN1
InChIInChI=1S/C12H18N2O2/c1-9-7-10(4-5-13-9)12(15)14-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeySMMRITZOTWTUTJ-UWVGGRQHSA-N
XLogP1.28
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
trans-(1R,3R)-3-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 124510443
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
(2S,4S)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120634583
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
[4-(furan-2-ylmethyl)piperazin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106739296

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide (CID 120631128) is (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2ccco2)CCN1.
What is the InChIKey of (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is SMMRITZOTWTUTJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-10(4-5-13-9)12(15)14-8-11-3-2-6-16-11/h2-3,6,9-10,13H,4-5,7-8H2,1H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120631128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).