N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C19H26ClN3O2 — CID 109139071

IUPACN-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)21-17(24)15-12-16(15)18(25)23-9-7-22(8-10-23)14-6-4-5-13(20)11-14/h4-6,11,15-16H,7-10,12H2,1-3H3,(H,21,24)
InChIKeyFOJZWHYVVTYRPW-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.54
Rot. Bonds3

About N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109139071) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109139071
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O2/c1-19(2,3)21-17(24)15-12-16(15)18(25)23-9-7-22(8-10-23)14-6-4-5-13(20)11-14/h4-6,11,15-16H,7-10,12H2,1-3H3,(H,21,24)
InChIKeyFOJZWHYVVTYRPW-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
N-tert-butyl-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139052
N-(4-chlorophenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139020
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
CID 109139074
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
N-(3-chloro-2-methylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138436
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109139071) is N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is FOJZWHYVVTYRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-19(2,3)21-17(24)15-12-16(15)18(25)23-9-7-22(8-10-23)14-6-4-5-13(20)11-14/h4-6,11,15-16H,7-10,12H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109139071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).