azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone

C21H29N3O — CID 898620

IUPACazepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1)N1CCCCCC1
InChIInChI=1S/C21H29N3O/c25-21(24-12-5-1-2-6-13-24)17-8-7-11-23(15-17)16-18-14-22-20-10-4-3-9-19(18)20/h3-4,9-10,14,17,22H,1-2,5-8,11-13,15-16H2/t17-/m1/s1
InChIKeyJGFSFURNCWMKBO-QGZVFWFLSA-N
MW339.48 g/mol
LogP3.78
Rot. Bonds3

About azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone

azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 898620) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID898620
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Nameazepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1)N1CCCCCC1
InChIInChI=1S/C21H29N3O/c25-21(24-12-5-1-2-6-13-24)17-8-7-11-23(15-17)16-18-14-22-20-10-4-3-9-19(18)20/h3-4,9-10,14,17,22H,1-2,5-8,11-13,15-16H2/t17-/m1/s1
InChIKeyJGFSFURNCWMKBO-QGZVFWFLSA-N
XLogP3.78
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

1-(1H-indol-3-ylmethyl)-N,N-di(propan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 3030428
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
azepan-1-yl-[1-(1H-indol-3-ylmethyl)piperidin-1-ium-3-yl]methanone
CID 4746245
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone (CID 898620) is azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is JGFSFURNCWMKBO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21(24-12-5-1-2-6-13-24)17-8-7-11-23(15-17)16-18-14-22-20-10-4-3-9-19(18)20/h3-4,9-10,14,17,22H,1-2,5-8,11-13,15-16H2/t17-/m1/s1.
What are the key properties of azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone?
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 339.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 898620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).