1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide

C16H21N3O2 — CID 119792199

IUPAC1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O2/c1-18(15(21)16(17)9-10-16)13-8-5-11-19(14(13)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyJHCOSDQDIXKRBP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.13
Rot. Bonds3

About 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide

1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 119792199) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID119792199
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H21N3O2/c1-18(15(21)16(17)9-10-16)13-8-5-11-19(14(13)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3
InChIKeyJHCOSDQDIXKRBP-UHFFFAOYSA-N
XLogP1.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119792253
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
CID 119792252
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120668615
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide
CID 120793912
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
CID 102557345
N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119792205
1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124887163

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide (CID 119792199) is 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide is CN(C(=O)C1(N)CC1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JHCOSDQDIXKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(15(21)16(17)9-10-16)13-8-5-11-19(14(13)20)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,17H2,1H3.
What are the key properties of 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide?
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119792199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).