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

C19H18Cl2N4O — CID 2802663

IUPACN-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H18Cl2N4O/c20-15-5-4-13(12-16(15)21)23-19(26)25-10-8-24(9-11-25)18-3-1-2-17-14(18)6-7-22-17/h1-7,12,22H,8-11H2,(H,23,26)
InChIKeyOPFSKKAXXZXDLG-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.83
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide (PubChem CID 2802663) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
PubChem CID2802663
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H18Cl2N4O/c20-15-5-4-13(12-16(15)21)23-19(26)25-10-8-24(9-11-25)18-3-1-2-17-14(18)6-7-22-17/h1-7,12,22H,8-11H2,(H,23,26)
InChIKeyOPFSKKAXXZXDLG-UHFFFAOYSA-N
XLogP4.83
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
CID 2802639
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-(4-chlorophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113113026
4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
CID 157299477
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide (CID 2802663) is N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The InChIKey is OPFSKKAXXZXDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-15-5-4-13(12-16(15)21)23-19(26)25-10-8-24(9-11-25)18-3-1-2-17-14(18)6-7-22-17/h1-7,12,22H,8-11H2,(H,23,26).
What are the key properties of N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2802663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).