1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one

C17H33N3O — CID 63854094

IUPAC1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
SMILESCNC(C)C1CCCN(C(C)C(=O)N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-14(18-3)16-9-8-12-20(13-16)15(2)17(21)19-10-6-4-5-7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyXSAYBTZMMZVCPG-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds4

About 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one

1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 63854094) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
PubChem CID63854094
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
SMILESCNC(C)C1CCCN(C(C)C(=O)N2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-14(18-3)16-9-8-12-20(13-16)15(2)17(21)19-10-6-4-5-7-11-19/h14-16,18H,4-13H2,1-3H3
InChIKeyXSAYBTZMMZVCPG-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]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-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63854633
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55258571
(3S)-N-cyclopropyl-1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
CID 95104508
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853232
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]piperidine-3-carbaldehyde
CID 62654386
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
CID 83880752
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one (CID 63854094) is 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one is CNC(C)C1CCCN(C(C)C(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is XSAYBTZMMZVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(18-3)16-9-8-12-20(13-16)15(2)17(21)19-10-6-4-5-7-11-19/h14-16,18H,4-13H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 63854094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).