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

C19H19ClN4O — CID 7595794

IUPAC4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClN4O/c20-14-4-3-5-15(12-14)23-8-10-24(11-9-23)19(25)22-18-13-21-17-7-2-1-6-16(17)18/h1-7,12-13,21H,8-11H2,(H,22,25)
InChIKeyFQSSYYCQQYATSF-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.18
Rot. Bonds2

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

4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide (PubChem CID 7595794) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
PubChem CID7595794
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClN4O/c20-14-4-3-5-15(12-14)23-8-10-24(11-9-23)19(25)22-18-13-21-17-7-2-1-6-16(17)18/h1-7,12-13,21H,8-11H2,(H,22,25)
InChIKeyFQSSYYCQQYATSF-UHFFFAOYSA-N
XLogP4.18
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
CID 7615909
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
ethyl (2R,3S)-2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-(1H-indol-3-yl)butanoate
CID 58723914
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
CID 7615912
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide (CID 7595794) is 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide is O=C(Nc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide?
The InChIKey is FQSSYYCQQYATSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-4-3-5-15(12-14)23-8-10-24(11-9-23)19(25)22-18-13-21-17-7-2-1-6-16(17)18/h1-7,12-13,21H,8-11H2,(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 7595794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).