2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C16H18N2O4 — CID 119185398

IUPAC2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c19-14(11-9-12(11)16(21)22)17-13-7-4-8-18(15(13)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H,17,19)(H,21,22)
InChIKeyIFADTAMQAYJSPC-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.02
Rot. Bonds4

About 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119185398) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119185398
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C16H18N2O4/c19-14(11-9-12(11)16(21)22)17-13-7-4-8-18(15(13)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H,17,19)(H,21,22)
InChIKeyIFADTAMQAYJSPC-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120932993
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932997
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
2,2-dimethyl-4-oxo-4-[(2-oxo-1-phenylpiperidin-3-yl)amino]butanoic acid
CID 119133851
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119787601
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 119185398) is 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IFADTAMQAYJSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14(11-9-12(11)16(21)22)17-13-7-4-8-18(15(13)20)10-5-2-1-3-6-10/h1-3,5-6,11-13H,4,7-9H2,(H,17,19)(H,21,22).
What are the key properties of 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119185398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).