2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone

C19H31N3O — CID 119396244

IUPAC2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCCC(CNC)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)18(17-11-7-6-8-12-17)19(23)22-13-9-10-16(15-22)14-20-3/h6-8,11-12,16,18,20H,4-5,9-10,13-15H2,1-3H3
InChIKeyKSSPIZBZTJAVRH-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds7

About 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone

2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 119396244) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
PubChem CID119396244
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCCC(CNC)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-4-21(5-2)18(17-11-7-6-8-12-17)19(23)22-13-9-10-16(15-22)14-20-3/h6-8,11-12,16,18,20H,4-5,9-10,13-15H2,1-3H3
InChIKeyKSSPIZBZTJAVRH-UHFFFAOYSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone 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-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
2-(2-ethylphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119397850
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylsulfanylbutan-1-one
CID 119396836
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[3-(methylaminomethyl)piperidin-1-yl]-3,4-diphenylbutan-1-one
CID 119396870
2-(3,4-difluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396272
1-[2-(diethylamino)-2-phenylacetyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 56540283
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone (CID 119396244) is 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone is CCN(CC)C(C(=O)N1CCCC(CNC)C1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is KSSPIZBZTJAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-21(5-2)18(17-11-7-6-8-12-17)19(23)22-13-9-10-16(15-22)14-20-3/h6-8,11-12,16,18,20H,4-5,9-10,13-15H2,1-3H3.
What are the key properties of 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone?
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 317.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119396244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).