N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C18H23ClN2O2 — CID 109136195

IUPACN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C18H23ClN2O2/c1-12-5-4-8-21(11-12)18(23)15-9-14(15)17(22)20-10-13-6-2-3-7-16(13)19/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,20,22)
InChIKeyRMOQXPABFVSICP-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109136195) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109136195
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CC2C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C18H23ClN2O2/c1-12-5-4-8-21(11-12)18(23)15-9-14(15)17(22)20-10-13-6-2-3-7-16(13)19/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,20,22)
InChIKeyRMOQXPABFVSICP-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
1-N-[(2-chlorophenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130448
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131432
1-[(2-chlorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113183633
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109134650
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109136195) is N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CC1CCCN(C(=O)C2CC2C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is RMOQXPABFVSICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-12-5-4-8-21(11-12)18(23)15-9-14(15)17(22)20-10-13-6-2-3-7-16(13)19/h2-3,6-7,12,14-15H,4-5,8-11H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 334.85 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109136195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).