4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide

C18H31N3O3 — CID 95339170

IUPAC4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1
InChIInChI=1S/C18H31N3O3/c1-14-4-8-20(9-5-14)17(22)15-6-10-21(11-7-15)18(23)19-13-16-3-2-12-24-16/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyDONLYDRTBLFKPY-INIZCTEOSA-N
MW337.46 g/mol
LogP1.85
Rot. Bonds3

About 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide

4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (PubChem CID 95339170) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
PubChem CID95339170
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1
InChIInChI=1S/C18H31N3O3/c1-14-4-8-20(9-5-14)17(22)15-6-10-21(11-7-15)18(23)19-13-16-3-2-12-24-16/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyDONLYDRTBLFKPY-INIZCTEOSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
N',4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboximidamide
CID 111210675
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 50809703
1-(oxolane-2-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 113003358
4-(morpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146739
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)thiourea
CID 43075805
ethyl 4-[4-(oxolan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109146929
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide (CID 95339170) is 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is CC1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
The InChIKey is DONLYDRTBLFKPY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14-4-8-20(9-5-14)17(22)15-6-10-21(11-7-15)18(23)19-13-16-3-2-12-24-16/h14-16H,2-13H2,1H3,(H,19,23)/t16-/m0/s1.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide?
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95339170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).