(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

C20H30N2O2 — CID 71984061

IUPAC(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-17-6-4-3-5-13-22(17)20(24)16-7-9-18(10-8-16)21-14-11-19(23)12-15-21/h7-10,17,19,23H,2-6,11-15H2,1H3
InChIKeyDOWCSZNKDMRDGN-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.44
Rot. Bonds3

About (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone

(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (PubChem CID 71984061) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
PubChem CID71984061
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-17-6-4-3-5-13-22(17)20(24)16-7-9-18(10-8-16)21-14-11-19(23)12-15-21/h7-10,17,19,23H,2-6,11-15H2,1H3
InChIKeyDOWCSZNKDMRDGN-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
[4-(1,3-dithian-2-yl)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 86979053
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The IUPAC name of (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone (CID 71984061) is (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is CCC1CCCCCN1C(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
The InChIKey is DOWCSZNKDMRDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-17-6-4-3-5-13-22(17)20(24)16-7-9-18(10-8-16)21-14-11-19(23)12-15-21/h7-10,17,19,23H,2-6,11-15H2,1H3.
What are the key properties of (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone?
(2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone has a molecular weight of 330.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone is sourced from PubChem (CID 71984061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).