(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one

C14H26N2O2 — CID 99854008

IUPAC(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOCC1CCN(C(=O)C[C@@H](N)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-10-11-5-7-16(8-6-11)14(17)9-13(15)12-3-4-12/h11-13H,2-10,15H2,1H3/t13-/m1/s1
InChIKeyZLBVVXIAFMDJFW-CYBMUJFWSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds6

About (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one

(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 99854008) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID99854008
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one
SMILESCCOCC1CCN(C(=O)C[C@@H](N)C2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-18-10-11-5-7-16(8-6-11)14(17)9-13(15)12-3-4-12/h11-13H,2-10,15H2,1H3/t13-/m1/s1
InChIKeyZLBVVXIAFMDJFW-CYBMUJFWSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 121201391
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
4-[4-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 121201395
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63979201
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one (CID 99854008) is (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one is CCOCC1CCN(C(=O)C[C@@H](N)C2CC2)CC1.
What is the InChIKey of (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ZLBVVXIAFMDJFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-10-11-5-7-16(8-6-11)14(17)9-13(15)12-3-4-12/h11-13H,2-10,15H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one?
(3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-cyclopropyl-1-[4-(ethoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 99854008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).