4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide

C20H21Cl2N3O — CID 90566886

IUPAC4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H21Cl2N3O/c21-17-9-6-15(12-18(17)22)23-20(26)25-11-10-24(16-7-8-16)13-19(25)14-4-2-1-3-5-14/h1-6,9,12,16,19H,7-8,10-11,13H2,(H,23,26)
InChIKeyMGUHHXLEKUSBRP-UHFFFAOYSA-N
MW390.31 g/mol
LogP5.05
Rot. Bonds3

About 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide

4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide (PubChem CID 90566886) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
PubChem CID90566886
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C20H21Cl2N3O/c21-17-9-6-15(12-18(17)22)23-20(26)25-11-10-24(16-7-8-16)13-19(25)14-4-2-1-3-5-14/h1-6,9,12,16,19H,7-8,10-11,13H2,(H,23,26)
InChIKeyMGUHHXLEKUSBRP-UHFFFAOYSA-N
XLogP5.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-N-(3,4-dimethylphenyl)-2-phenylpiperazine-1-carboxamide
CID 90566899
N-(4-tert-butylphenyl)-4-cyclopropyl-2-phenylpiperazine-1-carboxamide
CID 90566900
(2S)-4-cyclopropyl-N-ethyl-2-phenylpiperazine-1-carboxamide
CID 97040903
4-cyclopropyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90566912
benzyl 4-cyclopropyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]piperazine-1-carbonyl]piperazine-1-carboxylate
CID 67220711
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
(4-chloro-3-nitrophenyl)-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
CID 90566740
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 90566717
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
1-(4-cyclopropyl-2-phenylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 90566675

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide (CID 90566886) is 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide?
The InChIKey is MGUHHXLEKUSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c21-17-9-6-15(12-18(17)22)23-20(26)25-11-10-24(16-7-8-16)13-19(25)14-4-2-1-3-5-14/h1-6,9,12,16,19H,7-8,10-11,13H2,(H,23,26).
What are the key properties of 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide?
4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide has a molecular weight of 390.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(3,4-dichlorophenyl)-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 90566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).