(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

C15H27N3O3 — CID 94798800

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(12(19)16-5)17-13(20)11-7-6-8-18(9-11)14(21)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1
InChIKeyRWRFAOLXPBTXGQ-GHMZBOCLSA-N
MW297.40 g/mol
LogP0.52
Rot. Bonds3

About (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (PubChem CID 94798800) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
PubChem CID94798800
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
SMILESCNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H27N3O3/c1-10(12(19)16-5)17-13(20)11-7-6-8-18(9-11)14(21)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1
InChIKeyRWRFAOLXPBTXGQ-GHMZBOCLSA-N
XLogP0.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
1-(2,2-dimethylpropanoyl)-N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 47986994
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703197
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide (CID 94798800) is (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is CNC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
The InChIKey is RWRFAOLXPBTXGQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(12(19)16-5)17-13(20)11-7-6-8-18(9-11)14(21)15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94798800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).