1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C16H20N2O3 — CID 63180680

IUPAC1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C16H20N2O3/c19-14(16(8-9-16)15(20)21)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21)
InChIKeyXMYBTBOFICTWGT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds4

About 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 63180680) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID63180680
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C16H20N2O3/c19-14(16(8-9-16)15(20)21)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21)
InChIKeyXMYBTBOFICTWGT-UHFFFAOYSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
1-N'-(3,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981505
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
1-N-prop-2-enyl-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108970930
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 63180680) is 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XMYBTBOFICTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14(16(8-9-16)15(20)21)17-12-4-6-13(7-5-12)18-10-2-1-3-11-18/h4-7H,1-3,8-11H2,(H,17,19)(H,20,21).
What are the key properties of 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 63180680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).