[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

C23H34N4O2 — CID 52941660

IUPAC[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCC(C)N1CCCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1
InChIInChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3
InChIKeyPWJXWSKGZAZFAG-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.57
Rot. Bonds4

About [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 52941660) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID52941660
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCC(C)N1CCCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1
InChIInChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3
InChIKeyPWJXWSKGZAZFAG-UHFFFAOYSA-N
XLogP2.57
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
LY-517717
CID 9939865
Ethyl 6-{[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]carbamoyl}-1h-Indole-1-Carboxylate
CID 58328161
(4-isopropylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
CID 24783527
(4-cyclopropylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
CID 25061409
(4-cyclobutylpiperazin-1-yl)(3-(morpholinomethyl)-1H-indol-6-yl)methanone
CID 25061410
(4-isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethyl)-1H-indol-6-yl)methanone
CID 25061924
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(4-piperazin-1-ylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 68209992
1H-indol-3-yl(morpholino)methanone
CID 1481812
1-(1-Benzylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 2974537
N-{1-[2-(morpholin-4-yl)ethyl]-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-4-yl}acetamide
CID 24768503
Indole-based 7-membered lactam, 23a
CID 44143558

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (CID 52941660) is [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is CC(C)N1CCCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1.
What is the InChIKey of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is PWJXWSKGZAZFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3.
What are the key properties of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 398.55 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 52941660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).