(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide

C12H22N2O2 — CID 124748941

IUPAC(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11+/m0/s1
InChIKeyHDJWVPLSEQLAIH-WDEREUQCSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds3

About (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide

(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 124748941) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
PubChem CID124748941
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C12H22N2O2/c1-14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11+/m0/s1
InChIKeyHDJWVPLSEQLAIH-WDEREUQCSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 20968242
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
1,1-dioxo-N-(oxolan-2-ylmethyl)thiane-4-carboxamide
CID 110849495
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808359

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide (CID 124748941) is (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1.
What is the InChIKey of (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is HDJWVPLSEQLAIH-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-6-2-4-10(9-14)12(15)13-8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-,11+/m0/s1.
What are the key properties of (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124748941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).