N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C21H29ClN2O2 — CID 51254315

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NC(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C21H29ClN2O2/c1-21(2,3)20(26)24-12-10-16(11-13-24)19(25)23-18(14-4-5-14)15-6-8-17(22)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyWGVXQUYFTIKHHK-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.19
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 51254315) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID51254315
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)NC(c2ccc(Cl)cc2)C2CC2)CC1
InChIInChI=1S/C21H29ClN2O2/c1-21(2,3)20(26)24-12-10-16(11-13-24)19(25)23-18(14-4-5-14)15-6-8-17(22)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeyWGVXQUYFTIKHHK-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[(4-chlorophenyl)-cyclopropylmethyl]piperidine-4-carboxamide;hydrochloride
CID 119271202
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxamide
CID 10195542
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 18121105
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 45353380

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 51254315) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)NC(c2ccc(Cl)cc2)C2CC2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is WGVXQUYFTIKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-21(2,3)20(26)24-12-10-16(11-13-24)19(25)23-18(14-4-5-14)15-6-8-17(22)9-7-15/h6-9,14,16,18H,4-5,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 51254315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).