azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone

C24H35N3O2 — CID 53117764

IUPACazepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
SMILESCCn1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C24H35N3O2/c1-3-26-18-20(22-16-21(29-2)8-9-23(22)26)17-25-14-10-19(11-15-25)24(28)27-12-6-4-5-7-13-27/h8-9,16,18-19H,3-7,10-15,17H2,1-2H3
InChIKeyQMGQKOPWEWCZNP-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.28
Rot. Bonds5

About azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone

azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone (PubChem CID 53117764) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
PubChem CID53117764
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Nameazepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
SMILESCCn1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c2cc(OC)ccc21
InChIInChI=1S/C24H35N3O2/c1-3-26-18-20(22-16-21(29-2)8-9-23(22)26)17-25-14-10-19(11-15-25)24(28)27-12-6-4-5-7-13-27/h8-9,16,18-19H,3-7,10-15,17H2,1-2H3
InChIKeyQMGQKOPWEWCZNP-UHFFFAOYSA-N
XLogP4.28
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 92589969
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2187036
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480
[1-[(5-chloro-1-methylindol-3-yl)methyl]piperidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53013307
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
(1R,5S)-3-[(1-ethyl-5-methoxyindol-3-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 92589967

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone (CID 53117764) is azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone is CCn1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c2cc(OC)ccc21.
What is the InChIKey of azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is QMGQKOPWEWCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-3-26-18-20(22-16-21(29-2)8-9-23(22)26)17-25-14-10-19(11-15-25)24(28)27-12-6-4-5-7-13-27/h8-9,16,18-19H,3-7,10-15,17H2,1-2H3.
What are the key properties of azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 397.56 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 53117764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).