(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide

C15H29N3O2 — CID 120635653

IUPAC(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCN2CCOCC2(C)C)CCN1
InChIInChI=1S/C15H29N3O2/c1-12-10-13(4-5-16-12)14(19)17-6-7-18-8-9-20-11-15(18,2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeySPLKBOKWMBATOY-STQMWFEESA-N
MW283.42 g/mol
LogP0.60
Rot. Bonds4

About (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120635653) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120635653
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCN2CCOCC2(C)C)CCN1
InChIInChI=1S/C15H29N3O2/c1-12-10-13(4-5-16-12)14(19)17-6-7-18-8-9-20-11-15(18,2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeySPLKBOKWMBATOY-STQMWFEESA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea
CID 167975261
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106101296
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119876468
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 127336843

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120635653) is (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCN2CCOCC2(C)C)CCN1.
What is the InChIKey of (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is SPLKBOKWMBATOY-STQMWFEESA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12-10-13(4-5-16-12)14(19)17-6-7-18-8-9-20-11-15(18,2)3/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120635653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).