N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C25H26Cl2N4O — CID 142251657

IUPACN,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(N1CCN(Cc2cccnc2)CC1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C25H26Cl2N4O/c26-23-7-1-4-20(14-23)18-31(19-21-5-2-8-24(27)15-21)25(32)30-12-10-29(11-13-30)17-22-6-3-9-28-16-22/h1-9,14-16H,10-13,17-19H2
InChIKeyZYDVUVBUWJTRBR-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.33
Rot. Bonds6

About N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 142251657) has the molecular formula C25H26Cl2N4O and a molecular weight of 469.42 g/mol. Its IUPAC name is N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID142251657
Molecular FormulaC25H26Cl2N4O
Molecular Weight469.42 g/mol
Exact Mass468.15
IUPAC NameN,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(N1CCN(Cc2cccnc2)CC1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C25H26Cl2N4O/c26-23-7-1-4-20(14-23)18-31(19-21-5-2-8-24(27)15-21)25(32)30-12-10-29(11-13-30)17-22-6-3-9-28-16-22/h1-9,14-16H,10-13,17-19H2
InChIKeyZYDVUVBUWJTRBR-UHFFFAOYSA-N
XLogP5.33
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chlorophenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572749
2-(4-chlorophenyl)sulfanyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045018
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158
(4-chloro-1-methylpyrrol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56810688
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55483122
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
N-[(3-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)morpholine-4-carboxamide
CID 1248220
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572606
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 142251657) is N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is O=C(N1CCN(Cc2cccnc2)CC1)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1.
What is the InChIKey of N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZYDVUVBUWJTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O/c26-23-7-1-4-20(14-23)18-31(19-21-5-2-8-24(27)15-21)25(32)30-12-10-29(11-13-30)17-22-6-3-9-28-16-22/h1-9,14-16H,10-13,17-19H2.
What are the key properties of N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 469.42 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3-chlorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 142251657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).