1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide

C16H29N3O3 — CID 75460640

IUPAC1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2CCN(C)C(=O)C2)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)10-19-6-7-22-14(11-19)9-17-16(21)13-4-5-18(3)15(20)8-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyWJBKZTRALYELSX-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.33
Rot. Bonds5

About 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide

1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide (PubChem CID 75460640) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
PubChem CID75460640
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)C2CCN(C)C(=O)C2)C1
InChIInChI=1S/C16H29N3O3/c1-12(2)10-19-6-7-22-14(11-19)9-17-16(21)13-4-5-18(3)15(20)8-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyWJBKZTRALYELSX-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 55912395
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
methyl 1-[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253671
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24642400
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55739272
2-amino-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120797192
(3S)-1-(3-methylbutyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 39729388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide (CID 75460640) is 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide is CC(C)CN1CCOC(CNC(=O)C2CCN(C)C(=O)C2)C1.
What is the InChIKey of 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is WJBKZTRALYELSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(2)10-19-6-7-22-14(11-19)9-17-16(21)13-4-5-18(3)15(20)8-13/h12-14H,4-11H2,1-3H3,(H,17,21).
What are the key properties of 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide?
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 75460640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).