1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one

C16H24N2O2 — CID 81458301

IUPAC1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
SMILESCCC1CN(C(=O)CCOc2ccccc2)CCC1N
InChIInChI=1S/C16H24N2O2/c1-2-13-12-18(10-8-15(13)17)16(19)9-11-20-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3
InChIKeyPGGSFGKLHRKESJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds5

About 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one

1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one (PubChem CID 81458301) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
PubChem CID81458301
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
SMILESCCC1CN(C(=O)CCOc2ccccc2)CCC1N
InChIInChI=1S/C16H24N2O2/c1-2-13-12-18(10-8-15(13)17)16(19)9-11-20-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3
InChIKeyPGGSFGKLHRKESJ-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(4-amino-3-methylpiperidin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 79867710
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
4-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropoxy]benzamide
CID 124699526
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one (CID 81458301) is 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one is CCC1CN(C(=O)CCOc2ccccc2)CCC1N.
What is the InChIKey of 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is PGGSFGKLHRKESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-13-12-18(10-8-15(13)17)16(19)9-11-20-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12,17H2,1H3.
What are the key properties of 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one?
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 81458301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).