1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide

C16H29N3O3 — CID 120946337

IUPAC1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCC2CNCC2O)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)15(22)19-6-4-5-11(10-19)14(21)18-8-12-7-17-9-13(12)20/h11-13,17,20H,4-10H2,1-3H3,(H,18,21)
InChIKeyWBAXFOOJCGAWDY-UHFFFAOYSA-N
MW311.43 g/mol
LogP-0.03
Rot. Bonds3

About 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 120946337) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
PubChem CID120946337
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NCC2CNCC2O)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)15(22)19-6-4-5-11(10-19)14(21)18-8-12-7-17-9-13(12)20/h11-13,17,20H,4-10H2,1-3H3,(H,18,21)
InChIKeyWBAXFOOJCGAWDY-UHFFFAOYSA-N
XLogP-0.03
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 120948550
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
1-(2,2-dimethylpropanoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120888136
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120948133

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide (CID 120946337) is 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NCC2CNCC2O)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WBAXFOOJCGAWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)15(22)19-6-4-5-11(10-19)14(21)18-8-12-7-17-9-13(12)20/h11-13,17,20H,4-10H2,1-3H3,(H,18,21).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120946337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).