azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone

C20H24N2O2 — CID 125439003

IUPACazepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone
SMILESC[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCCCCC3)cc2)n1
InChIInChI=1S/C20H24N2O2/c1-15(23)18-7-6-8-19(21-18)16-9-11-17(12-10-16)20(24)22-13-4-2-3-5-14-22/h6-12,15,23H,2-5,13-14H2,1H3/t15-/m1/s1
InChIKeyBCECVKWTXOQLFB-OAHLLOKOSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds3

About azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone

azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone (PubChem CID 125439003) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone
PubChem CID125439003
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameazepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone
SMILESC[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCCCCC3)cc2)n1
InChIInChI=1S/C20H24N2O2/c1-15(23)18-7-6-8-19(21-18)16-9-11-17(12-10-16)20(24)22-13-4-2-3-5-14-22/h6-12,15,23H,2-5,13-14H2,1H3/t15-/m1/s1
InChIKeyBCECVKWTXOQLFB-OAHLLOKOSA-N
XLogP3.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[4-[4-[(3-methylphenyl)methylamino]-6-[4-(piperidine-1-carbonyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-piperidin-1-ylmethanone
CID 142845614
[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
CID 171697921
[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 58955857

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone (CID 125439003) is azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone is C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCCCCC3)cc2)n1.
What is the InChIKey of azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone?
The InChIKey is BCECVKWTXOQLFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(23)18-7-6-8-19(21-18)16-9-11-17(12-10-16)20(24)22-13-4-2-3-5-14-22/h6-12,15,23H,2-5,13-14H2,1H3/t15-/m1/s1.
What are the key properties of azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone?
azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone is sourced from PubChem (CID 125439003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).