(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

C17H20Cl2N2O2 — CID 30093775

IUPAC(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-16(11-17(16,18)19)15(23)20-13-8-4-3-7-12(13)14(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyUWKCVYUWTDXQGO-INIZCTEOSA-N
MW355.27 g/mol
LogP3.84
Rot. Bonds3

About (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide

(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 30093775) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
PubChem CID30093775
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
SMILESC[C@@]1(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-16(11-17(16,18)19)15(23)20-13-8-4-3-7-12(13)14(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyUWKCVYUWTDXQGO-INIZCTEOSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
(2S)-2-(2-chlorophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 40796739
phenyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
CID 5064949
2,2-diphenyl-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1341137
2-acetamido-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 78773400

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide (CID 30093775) is (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is C[C@@]1(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UWKCVYUWTDXQGO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-16(11-17(16,18)19)15(23)20-13-8-4-3-7-12(13)14(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 30093775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).