N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide

C20H31N3O3 — CID 119605857

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-15(2)20(3,14-21)22-19(25)16-8-7-11-23(12-16)18(24)13-26-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14,21H2,1-3H3,(H,22,25)
InChIKeyYXRAIYPODWELQA-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.79
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide (PubChem CID 119605857) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
PubChem CID119605857
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-15(2)20(3,14-21)22-19(25)16-8-7-11-23(12-16)18(24)13-26-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14,21H2,1-3H3,(H,22,25)
InChIKeyYXRAIYPODWELQA-UHFFFAOYSA-N
XLogP1.79
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119665267
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
CID 120518656
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide (CID 119605857) is N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide?
The InChIKey is YXRAIYPODWELQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(2)20(3,14-21)22-19(25)16-8-7-11-23(12-16)18(24)13-26-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14,21H2,1-3H3,(H,22,25).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 119605857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).