[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C22H31N3O — CID 120633706

IUPAC[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4CCN[C@@H](C)C4)CC3)c[nH]c12
InChIInChI=1S/C22H31N3O/c1-3-16-5-4-6-19-20(14-24-21(16)19)17-8-11-25(12-9-17)22(26)18-7-10-23-15(2)13-18/h4-6,14-15,17-18,23-24H,3,7-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyPZYGSHUQDQIWHJ-YJBOKZPZSA-N
MW353.51 g/mol
LogP3.82
Rot. Bonds3

About [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone

[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120633706) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120633706
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCCc1cccc2c(C3CCN(C(=O)[C@H]4CCN[C@@H](C)C4)CC3)c[nH]c12
InChIInChI=1S/C22H31N3O/c1-3-16-5-4-6-19-20(14-24-21(16)19)17-8-11-25(12-9-17)22(26)18-7-10-23-15(2)13-18/h4-6,14-15,17-18,23-24H,3,7-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyPZYGSHUQDQIWHJ-YJBOKZPZSA-N
XLogP3.82
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631960
[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 95136848
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636397
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 126768350
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 87042789
6-[3-[4-(7-ethyl-1H-indol-3-yl)piperidine-1-carbonyl]phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 154807071
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637111
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
7-ethyl-3-(4-methylpiperazin-2-yl)-1H-indole
CID 84630954
N-(1-cyanocyclopentyl)-2-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 87030920
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483

Frequently Asked Questions

What is the IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120633706) is [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is CCc1cccc2c(C3CCN(C(=O)[C@H]4CCN[C@@H](C)C4)CC3)c[nH]c12.
What is the InChIKey of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is PZYGSHUQDQIWHJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-16-5-4-6-19-20(14-24-21(16)19)17-8-11-25(12-9-17)22(26)18-7-10-23-15(2)13-18/h4-6,14-15,17-18,23-24H,3,7-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 353.51 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).