4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide

C19H28N2O3 — CID 110611191

IUPAC4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCCc1cccc(OC2CCN(C(=O)NC3CCOCC3)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-2-15-4-3-5-18(14-15)24-17-6-10-21(11-7-17)19(22)20-16-8-12-23-13-9-16/h3-5,14,16-17H,2,6-13H2,1H3,(H,20,22)
InChIKeyPWGIHDWAFLIJOL-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.98
Rot. Bonds4

About 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide

4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 110611191) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID110611191
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCCc1cccc(OC2CCN(C(=O)NC3CCOCC3)CC2)c1
InChIInChI=1S/C19H28N2O3/c1-2-15-4-3-5-18(14-15)24-17-6-10-21(11-7-17)19(22)20-16-8-12-23-13-9-16/h3-5,14,16-17H,2,6-13H2,1H3,(H,20,22)
InChIKeyPWGIHDWAFLIJOL-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
CID 86943396
(3-ethylphenoxy)cyclooctane
CID 91220327
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
3-(oxan-4-yloxy)benzoic acid
CID 23149060
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide (CID 110611191) is 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide is CCc1cccc(OC2CCN(C(=O)NC3CCOCC3)CC2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is PWGIHDWAFLIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-15-4-3-5-18(14-15)24-17-6-10-21(11-7-17)19(22)20-16-8-12-23-13-9-16/h3-5,14,16-17H,2,6-13H2,1H3,(H,20,22).
What are the key properties of 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide?
4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110611191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).