N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

C16H22ClN3O2 — CID 24716736

IUPACN-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1C(=O)NC(C)(C)C
InChIInChI=1S/C16H22ClN3O2/c1-11-14(21)20(13-8-6-5-7-12(13)17)10-9-19(11)15(22)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeySUGOTMVPDJOKEV-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.89
Rot. Bonds1

About N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide

N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 24716736) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID24716736
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide
SMILESCC1C(=O)N(c2ccccc2Cl)CCN1C(=O)NC(C)(C)C
InChIInChI=1S/C16H22ClN3O2/c1-11-14(21)20(13-8-6-5-7-12(13)17)10-9-19(11)15(22)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeySUGOTMVPDJOKEV-UHFFFAOYSA-N
XLogP2.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114427
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459
1-(2-chlorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036234
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325
4-(1,3-benzodioxole-5-carbonyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036244
(3S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93321596
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
(3S)-1-(3-chloro-2-methylphenyl)-3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 93321267
1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 24716093
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93322176
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide (CID 24716736) is N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is CC1C(=O)N(c2ccccc2Cl)CCN1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is SUGOTMVPDJOKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-14(21)20(13-8-6-5-7-12(13)17)10-9-19(11)15(22)18-16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide?
N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-chlorophenyl)-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 24716736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).