(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone

C23H29N3O2 — CID 159937564

IUPAC(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1ccc(OC2CN(C(=O)C3CCCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C23H29N3O2/c1-18-9-10-21(14-24-18)28-22-16-26(17-22)23(27)20-8-5-12-25(13-11-20)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,20,22H,5,8,11-13,15-17H2,1H3
InChIKeyOALJXQHCPIFVMR-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.28
Rot. Bonds5

About (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone

(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone (PubChem CID 159937564) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
PubChem CID159937564
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone
SMILESCc1ccc(OC2CN(C(=O)C3CCCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C23H29N3O2/c1-18-9-10-21(14-24-18)28-22-16-26(17-22)23(27)20-8-5-12-25(13-11-20)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,20,22H,5,8,11-13,15-17H2,1H3
InChIKeyOALJXQHCPIFVMR-UHFFFAOYSA-N
XLogP3.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone with MolForge

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Related Compounds

[(3R,5S)-1-benzyl-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 131902956
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359

Frequently Asked Questions

What is the IUPAC name of (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone?
The IUPAC name of (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone (CID 159937564) is (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone.
What is the SMILES notation for (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone?
The canonical SMILES for (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone is Cc1ccc(OC2CN(C(=O)C3CCCN(Cc4ccccc4)CC3)C2)cn1.
What is the InChIKey of (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone?
The InChIKey is OALJXQHCPIFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-9-10-21(14-24-18)28-22-16-26(17-22)23(27)20-8-5-12-25(13-11-20)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,20,22H,5,8,11-13,15-17H2,1H3.
What are the key properties of (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone?
(1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylazepan-4-yl)-[3-[(6-methyl-3-pyridinyl)oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 159937564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).