6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide

C17H26N3O2+ — CID 7130482

IUPAC6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NC[C@@H]3CCCO3)c[nH+]2)CC1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,19,21)/p+1/t15-/m0/s1
InChIKeyOSCMHJRGWNDUSU-HNNXBMFYSA-O
MW304.41 g/mol
LogP1.65
Rot. Bonds4

About 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide

6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide (PubChem CID 7130482) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
PubChem CID7130482
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
SMILESCC1CCN(c2ccc(C(=O)NC[C@@H]3CCCO3)c[nH+]2)CC1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,19,21)/p+1/t15-/m0/s1
InChIKeyOSCMHJRGWNDUSU-HNNXBMFYSA-O
XLogP1.65
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
CID 7130464
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
5-[(4-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42757268
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-6-morpholin-4-ylpyridin-1-ium-3-carboxamide
CID 7221705
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109081800
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide (CID 7130482) is 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide is CC1CCN(c2ccc(C(=O)NC[C@@H]3CCCO3)c[nH+]2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide?
The InChIKey is OSCMHJRGWNDUSU-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,19,21)/p+1/t15-/m0/s1.
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide?
6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 7130482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).