(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one

C13H26N2O2 — CID 103831470

IUPAC(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15-9-7-11(8-10-15)17-4-2/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyUGFNYBCDPRFEAL-LBPRGKRZSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds6

About (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one

(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one (PubChem CID 103831470) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
PubChem CID103831470
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC(OCC)CC1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15-9-7-11(8-10-15)17-4-2/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyUGFNYBCDPRFEAL-LBPRGKRZSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-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

(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
ethyl 2-(4-ethoxypiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116537808
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one (CID 103831470) is (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCC(OCC)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one?
The InChIKey is UGFNYBCDPRFEAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-12(14)13(16)15-9-7-11(8-10-15)17-4-2/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 103831470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).