[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone

C27H26N2O3 — CID 25289588

IUPAC[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccc5ccccc45)C3)n(C)c2c1
InChIInChI=1S/C27H26N2O3/c1-28-24-16-21(32-2)13-12-19(24)15-25(28)27(31)29-14-6-9-20(17-29)26(30)23-11-5-8-18-7-3-4-10-22(18)23/h3-5,7-8,10-13,15-16,20H,6,9,14,17H2,1-2H3/t20-/m1/s1
InChIKeyHJKIEPITAKCUKT-HXUWFJFHSA-N
MW426.52 g/mol
LogP5.08
Rot. Bonds4

About [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone

[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 25289588) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID25289588
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
SMILESCOc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccc5ccccc45)C3)n(C)c2c1
InChIInChI=1S/C27H26N2O3/c1-28-24-16-21(32-2)13-12-19(24)15-25(28)27(31)29-14-6-9-20(17-29)26(30)23-11-5-8-18-7-3-4-10-22(18)23/h3-5,7-8,10-13,15-16,20H,6,9,14,17H2,1-2H3/t20-/m1/s1
InChIKeyHJKIEPITAKCUKT-HXUWFJFHSA-N
XLogP5.08
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone 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

[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
[1-(3-methylbenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45202126
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
5,6-dimethyl-3-[(3S)-3-(naphthalene-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 25305199
(4-ethylpiperazin-1-yl)-(6-methoxy-1-methylindol-2-yl)methanone
CID 110849904
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
ethyl 2-[1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-2-yl]acetate
CID 70733882
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
[(3S)-1-(6-methylquinoline-4-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 42215892
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone (CID 25289588) is [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone is COc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)c4cccc5ccccc45)C3)n(C)c2c1.
What is the InChIKey of [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is HJKIEPITAKCUKT-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-28-24-16-21(32-2)13-12-19(24)15-25(28)27(31)29-14-6-9-20(17-29)26(30)23-11-5-8-18-7-3-4-10-22(18)23/h3-5,7-8,10-13,15-16,20H,6,9,14,17H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone?
[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 426.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 25289588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).