2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

C22H29N3O2 — CID 52516114

IUPAC2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccc4ccccc43)CC2)C1
InChIInChI=1S/C22H29N3O2/c1-17-5-4-11-25(15-17)22(27)19-9-12-23(13-10-19)21(26)16-24-14-8-18-6-2-3-7-20(18)24/h2-3,6-8,14,17,19H,4-5,9-13,15-16H2,1H3/t17-/m0/s1
InChIKeyWVOQPUFTDRLLQN-KRWDZBQOSA-N
MW367.49 g/mol
LogP3.14
Rot. Bonds3

About 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 52516114) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID52516114
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESC[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccc4ccccc43)CC2)C1
InChIInChI=1S/C22H29N3O2/c1-17-5-4-11-25(15-17)22(27)19-9-12-23(13-10-19)21(26)16-24-14-8-18-6-2-3-7-20(18)24/h2-3,6-8,14,17,19H,4-5,9-13,15-16H2,1H3/t17-/m0/s1
InChIKeyWVOQPUFTDRLLQN-KRWDZBQOSA-N
XLogP3.14
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone 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

2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 87040579
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 52516114) is 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3ccc4ccccc43)CC2)C1.
What is the InChIKey of 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is WVOQPUFTDRLLQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-5-4-11-25(15-17)22(27)19-9-12-23(13-10-19)21(26)16-24-14-8-18-6-2-3-7-20(18)24/h2-3,6-8,14,17,19H,4-5,9-13,15-16H2,1H3/t17-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 367.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 52516114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).