N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride

C18H23Cl3N4O — CID 66797152

IUPACN-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1CCc1cccnc1
InChIInChI=1S/C18H21ClN4O.2ClH/c19-15-4-6-16(7-5-15)22-18(24)23-11-10-21-13-17(23)8-3-14-2-1-9-20-12-14;;/h1-2,4-7,9,12,17,21H,3,8,10-11,13H2,(H,22,24);2*1H
InChIKeyKLBPEMPPYQRGKW-UHFFFAOYSA-N
MW417.77 g/mol
LogP4.02
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride

N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride (PubChem CID 66797152) has the molecular formula C18H23Cl3N4O and a molecular weight of 417.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
PubChem CID66797152
Molecular FormulaC18H23Cl3N4O
Molecular Weight417.77 g/mol
Exact Mass416.09
IUPAC NameN-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1CCc1cccnc1
InChIInChI=1S/C18H21ClN4O.2ClH/c19-15-4-6-16(7-5-15)22-18(24)23-11-10-21-13-17(23)8-3-14-2-1-9-20-12-14;;/h1-2,4-7,9,12,17,21H,3,8,10-11,13H2,(H,22,24);2*1H
InChIKeyKLBPEMPPYQRGKW-UHFFFAOYSA-N
XLogP4.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.77
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643565
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-(4-phenylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643580
N-(4-phenoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797636
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
N-[4-(4-methoxyphenyl)phenyl]-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878565
N-(4-benzoylphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;dihydrochloride
CID 66797042
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796493
2-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 24877661
tert-butyl 4-[(4-chlorophenyl)carbamoyl]-3-(pyridin-3-ylmethyl)piperazine-1-carboxylate;N-(4-chlorophenyl)-2-(pyridin-3-ylmethyl)piperidine-1-carboxamide;dihydrochloride
CID 161088832
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride (CID 66797152) is N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Cl)cc1)N1CCNCC1CCc1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride?
The InChIKey is KLBPEMPPYQRGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O.2ClH/c19-15-4-6-16(7-5-15)22-18(24)23-11-10-21-13-17(23)8-3-14-2-1-9-20-12-14;;/h1-2,4-7,9,12,17,21H,3,8,10-11,13H2,(H,22,24);2*1H.
What are the key properties of N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride?
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride has a molecular weight of 417.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-pyridin-3-ylethyl)piperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 66797152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).