N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide

C21H25ClFN3O — CID 70476697

IUPACN-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide
SMILESCCCC(c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClFN3O/c1-2-3-20(16-4-8-18(23)9-5-16)25-12-14-26(15-13-25)21(27)24-19-10-6-17(22)7-11-19/h4-11,20H,2-3,12-15H2,1H3,(H,24,27)
InChIKeyRNDDXPOKPODDPX-UHFFFAOYSA-N
MW389.90 g/mol
LogP5.17
Rot. Bonds5

About N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide

N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide (PubChem CID 70476697) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide
PubChem CID70476697
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC NameN-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide
SMILESCCCC(c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClFN3O/c1-2-3-20(16-4-8-18(23)9-5-16)25-12-14-26(15-13-25)21(27)24-19-10-6-17(22)7-11-19/h4-11,20H,2-3,12-15H2,1H3,(H,24,27)
InChIKeyRNDDXPOKPODDPX-UHFFFAOYSA-N
XLogP5.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(4-fluorophenyl)methyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 4988040
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)-3-methyl-6-pentan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42808742
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-(4-chlorophenyl)-4-propylpiperazin-4-ium-1-carboxamide
CID 9166248
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide (CID 70476697) is N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide is CCCC(c1ccc(F)cc1)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
The InChIKey is RNDDXPOKPODDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-2-3-20(16-4-8-18(23)9-5-16)25-12-14-26(15-13-25)21(27)24-19-10-6-17(22)7-11-19/h4-11,20H,2-3,12-15H2,1H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide has a molecular weight of 389.90 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[1-(4-fluorophenyl)butyl]piperazine-1-carboxamide is sourced from PubChem (CID 70476697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).