N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C22H30ClN3O3 — CID 55776981

IUPACN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H30ClN3O3/c1-22(2,3)21(29)26-12-8-15(9-13-26)19(27)24-18-7-6-16(23)14-17(18)20(28)25-10-4-5-11-25/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,27)
InChIKeyLKQNDNRBGXUGLJ-UHFFFAOYSA-N
MW419.95 g/mol
LogP3.80
Rot. Bonds3

About N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 55776981) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID55776981
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC NameN-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C22H30ClN3O3/c1-22(2,3)21(29)26-12-8-15(9-13-26)19(27)24-18-7-6-16(23)14-17(18)20(28)25-10-4-5-11-25/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,27)
InChIKeyLKQNDNRBGXUGLJ-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607785
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-(5-chloro-2-hydroxyphenyl)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-4-carboxamide
CID 71864229
N-(2,4-dibromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55528235
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
1-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807318

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 55776981) is N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is LKQNDNRBGXUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3/c1-22(2,3)21(29)26-12-8-15(9-13-26)19(27)24-18-7-6-16(23)14-17(18)20(28)25-10-4-5-11-25/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,27).
What are the key properties of N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 419.95 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55776981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).