[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone

C26H32N2O — CID 143503509

IUPAC[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
SMILESCCc1cccc2c(C)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H32N2O/c1-3-21-11-7-12-24-20(2)19-28(25(21)24)16-8-15-27-17-13-23(14-18-27)26(29)22-9-5-4-6-10-22/h4-7,9-12,19,23H,3,8,13-18H2,1-2H3
InChIKeyDHGQDKGDMCJWOG-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.50
Rot. Bonds7

About [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone

[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone (PubChem CID 143503509) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
PubChem CID143503509
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone
SMILESCCc1cccc2c(C)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H32N2O/c1-3-21-11-7-12-24-20(2)19-28(25(21)24)16-8-15-27-17-13-23(14-18-27)26(29)22-9-5-4-6-10-22/h4-7,9-12,19,23H,3,8,13-18H2,1-2H3
InChIKeyDHGQDKGDMCJWOG-UHFFFAOYSA-N
XLogP5.50
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone
CID 58968129
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
CID 23641667
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
phenyl 1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidine-4-carboximidothioate
CID 143502648
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
1-[1-[3-[4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperazin-1-yl]propyl]-7-ethylindol-3-yl]ethanone
CID 58968460
N-[(3,4-dichlorophenyl)methyl]-7-ethyl-1-[3-[4-(3-phenoxypropyl)piperazin-1-yl]propyl]indole-3-carboxamide
CID 58967876
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256

Frequently Asked Questions

What is the IUPAC name of [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone (CID 143503509) is [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone is CCc1cccc2c(C)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
The InChIKey is DHGQDKGDMCJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-3-21-11-7-12-24-20(2)19-28(25(21)24)16-8-15-27-17-13-23(14-18-27)26(29)22-9-5-4-6-10-22/h4-7,9-12,19,23H,3,8,13-18H2,1-2H3.
What are the key properties of [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone?
[1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone has a molecular weight of 388.56 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(7-ethyl-3-methylindol-1-yl)propyl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 143503509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).