1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one

C19H30N2O — CID 109030915

IUPAC1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCCCc1ccccc1
InChIInChI=1S/C19H30N2O/c1-2-18-12-6-7-16-21(18)19(22)13-15-20-14-8-11-17-9-4-3-5-10-17/h3-5,9-10,18,20H,2,6-8,11-16H2,1H3
InChIKeyOJLHEHDCUULELJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.39
Rot. Bonds8

About 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one

1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one (PubChem CID 109030915) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
PubChem CID109030915
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNCCCc1ccccc1
InChIInChI=1S/C19H30N2O/c1-2-18-12-6-7-16-21(18)19(22)13-15-20-14-8-11-17-9-4-3-5-10-17/h3-5,9-10,18,20H,2,6-8,11-16H2,1H3
InChIKeyOJLHEHDCUULELJ-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
CID 109019962
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
1-(2-ethylpiperidin-1-yl)-3-[(2-methoxyphenyl)methylamino]propan-1-one
CID 109022144
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
(2-ethylpiperidin-1-yl)-[2-(3-phenylpropylamino)pyrimidin-4-yl]methanone
CID 109310948
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one (CID 109030915) is 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one is CCC1CCCCN1C(=O)CCNCCCc1ccccc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one?
The InChIKey is OJLHEHDCUULELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-18-12-6-7-16-21(18)19(22)13-15-20-14-8-11-17-9-4-3-5-10-17/h3-5,9-10,18,20H,2,6-8,11-16H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one?
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one is sourced from PubChem (CID 109030915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).