[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone

C23H26ClN3O — CID 20801044

IUPAC[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)25-19-10-12-26(13-11-19)23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19,25H,10-13H2,1-2H3
InChIKeyHMJCRTVYJNCJTI-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.89
Rot. Bonds4

About [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone

[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone (PubChem CID 20801044) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone
PubChem CID20801044
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone
SMILESCC(C)NC1CCN(C(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)25-19-10-12-26(13-11-19)23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19,25H,10-13H2,1-2H3
InChIKeyHMJCRTVYJNCJTI-UHFFFAOYSA-N
XLogP4.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-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

[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
CID 20801042
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
CID 20801068
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
isoquinolin-3-yl-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380558
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
3-[4-(propan-2-ylamino)piperidine-1-carbonyl]benzamide
CID 90380541
1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
CID 172769945
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
1-(3-chlorophenyl)-7-methylindole-2-carboxylic acid
CID 175724450

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone (CID 20801044) is [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone is CC(C)NC1CCN(C(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is HMJCRTVYJNCJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-16(2)25-19-10-12-26(13-11-19)23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19,25H,10-13H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 395.93 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)indol-2-yl]-[4-(propan-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 20801044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).