1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone

C16H30N2O2 — CID 83996453

IUPAC1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(O)C(C)C)CC(NCC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)16(20)7-14-6-15(17-8-13-4-5-13)10-18(9-14)12(3)19/h11,13-17,20H,4-10H2,1-3H3
InChIKeyDFOBHDVOMJVEJV-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.63
Rot. Bonds6

About 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone

1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone (PubChem CID 83996453) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
PubChem CID83996453
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(O)C(C)C)CC(NCC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-11(2)16(20)7-14-6-15(17-8-13-4-5-13)10-18(9-14)12(3)19/h11,13-17,20H,4-10H2,1-3H3
InChIKeyDFOBHDVOMJVEJV-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone 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

1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 83996454
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
1-[3-(cyclopropylamino)-5-(2-hydroxybutyl)piperidin-1-yl]ethanone
CID 83991645
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone (CID 83996453) is 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone is CC(=O)N1CC(CC(O)C(C)C)CC(NCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone?
The InChIKey is DFOBHDVOMJVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)16(20)7-14-6-15(17-8-13-4-5-13)10-18(9-14)12(3)19/h11,13-17,20H,4-10H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone?
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 83996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).