(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

C13H24N2O2 — CID 81140981

IUPAC(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-15(10-11-4-7-17-8-5-11)13(16)12-3-2-6-14-9-12/h11-12,14H,2-10H2,1H3/t12-/m0/s1
InChIKeyJIVRJOWHPGKSNZ-LBPRGKRZSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide

(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 81140981) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
PubChem CID81140981
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C13H24N2O2/c1-15(10-11-4-7-17-8-5-11)13(16)12-3-2-6-14-9-12/h11-12,14H,2-10H2,1H3/t12-/m0/s1
InChIKeyJIVRJOWHPGKSNZ-LBPRGKRZSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(oxan-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119331855
N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 55227214
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119814558
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973
(3R)-N-methyl-N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 81139885
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxamide;hydrochloride
CID 119290915
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
N-(3,3-dimethylbutyl)-N-methylpiperidine-3-carboxamide
CID 115159936

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide (CID 81140981) is (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is CN(CC1CCOCC1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JIVRJOWHPGKSNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(10-11-4-7-17-8-5-11)13(16)12-3-2-6-14-9-12/h11-12,14H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide?
(3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-(oxan-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81140981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).