4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide

C14H17ClN4O — CID 157299477

IUPAC4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12/h2-3,8-9,17H,4-7H2,1H3,(H,16,20)
InChIKeyPDQOECLPTAXULT-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.28
Rot. Bonds1

About 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide

4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide (PubChem CID 157299477) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
PubChem CID157299477
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12/h2-3,8-9,17H,4-7H2,1H3,(H,16,20)
InChIKeyPDQOECLPTAXULT-UHFFFAOYSA-N
XLogP2.28
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-chloro-1H-indol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 158915053
N-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
CID 2802663
N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 157172605
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
CID 159576941
7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
CID 71337771
(2,6-dichlorophenyl)-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
CID 2802639
2,2,2-trichloro-1-[4-(1H-indol-4-yl)piperazin-1-yl]ethanone
CID 126740582
1-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 139990891
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
6-chloro-N-(1-methylpiperidin-4-yl)-1H-indol-4-amine
CID 130361840
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide (CID 157299477) is 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.
What is the InChIKey of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide?
The InChIKey is PDQOECLPTAXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-16-14(20)19-6-4-18(5-7-19)13-9-10(15)8-12-11(13)2-3-17-12/h2-3,8-9,17H,4-7H2,1H3,(H,16,20).
What are the key properties of 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide?
4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 157299477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).