(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone

C17H26N2O2 — CID 60817895

IUPAC(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-11-18-14-9-12-19(13-10-14)17(20)15-7-5-6-8-16(15)21-4-2/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyXUFXOFYTQNOEJP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds6

About (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone

(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 60817895) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID60817895
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccccc2OCC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-11-18-14-9-12-19(13-10-14)17(20)15-7-5-6-8-16(15)21-4-2/h5-8,14,18H,3-4,9-13H2,1-2H3
InChIKeyXUFXOFYTQNOEJP-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351
N-[1-(2-ethoxybenzoyl)piperidin-4-yl]-2-(4-ethylphenoxy)acetamide
CID 86812515
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 60817895) is (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2ccccc2OCC)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is XUFXOFYTQNOEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-18-14-9-12-19(13-10-14)17(20)15-7-5-6-8-16(15)21-4-2/h5-8,14,18H,3-4,9-13H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60817895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).