(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone

C16H20ClN3O — CID 19013302

IUPAC(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(Cl)cc3cc[nH]c23)CC1
InChIInChI=1S/C16H20ClN3O/c1-2-5-19-6-8-20(9-7-19)16(21)14-11-13(17)10-12-3-4-18-15(12)14/h3-4,10-11,18H,2,5-9H2,1H3
InChIKeyALQVFWDGBIZBIF-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.99
Rot. Bonds3

About (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone

(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 19013302) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID19013302
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cc(Cl)cc3cc[nH]c23)CC1
InChIInChI=1S/C16H20ClN3O/c1-2-5-19-6-8-20(9-7-19)16(21)14-11-13(17)10-12-3-4-18-15(12)14/h3-4,10-11,18H,2,5-9H2,1H3
InChIKeyALQVFWDGBIZBIF-UHFFFAOYSA-N
XLogP2.99
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-(methylamino)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 62171773
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(3,5-dichloro-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391607
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 46376388
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone (CID 19013302) is (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cc(Cl)cc3cc[nH]c23)CC1.
What is the InChIKey of (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is ALQVFWDGBIZBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-5-19-6-8-20(9-7-19)16(21)14-11-13(17)10-12-3-4-18-15(12)14/h3-4,10-11,18H,2,5-9H2,1H3.
What are the key properties of (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone?
(5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 305.81 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-7-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 19013302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).