N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

C17H24Cl2N4O — CID 167917066

IUPACN-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCNCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O/c18-15-4-3-14(12-16(15)19)22-8-10-23(11-9-22)17(24)21-13-2-1-6-20-7-5-13/h3-4,12-13,20H,1-2,5-11H2,(H,21,24)
InChIKeyYDXUEVSUKQUDKI-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.97
Rot. Bonds2

About N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 167917066) has the molecular formula C17H24Cl2N4O and a molecular weight of 371.31 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID167917066
Molecular FormulaC17H24Cl2N4O
Molecular Weight371.31 g/mol
Exact Mass370.13
IUPAC NameN-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCNCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O/c18-15-4-3-14(12-16(15)19)22-8-10-23(11-9-22)17(24)21-13-2-1-6-20-7-5-13/h3-4,12-13,20H,1-2,5-11H2,(H,21,24)
InChIKeyYDXUEVSUKQUDKI-UHFFFAOYSA-N
XLogP2.97
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-(azepan-4-yl)pyrrolidine-1-carboxamide
CID 107172613
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
methyl 2-[4-[4-(piperidin-4-ylcarbamoyl)piperazin-1-yl]phenoxy]acetate;hydrochloride
CID 19602687
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-(azepan-4-yl)-4-methylpiperidine-1-carboxamide
CID 107172623
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
1-(3,4-dichlorophenyl)-2-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119386103

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 167917066) is N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(NC1CCCNCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is YDXUEVSUKQUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4O/c18-15-4-3-14(12-16(15)19)22-8-10-23(11-9-22)17(24)21-13-2-1-6-20-7-5-13/h3-4,12-13,20H,1-2,5-11H2,(H,21,24).
What are the key properties of N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 371.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 167917066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).