1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one

C17H26N2O — CID 119560444

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCC(NC)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-12-10-15(18-2)11-13-19/h4-6,8-9,15-16,18H,3,7,10-13H2,1-2H3
InChIKeyLFXGBOYNXACLRB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one

1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one (PubChem CID 119560444) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
PubChem CID119560444
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCC(NC)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-12-10-15(18-2)11-13-19/h4-6,8-9,15-16,18H,3,7,10-13H2,1-2H3
InChIKeyLFXGBOYNXACLRB-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-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

1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one (CID 119560444) is 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one is CCCC(C(=O)N1CCC(NC)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one?
The InChIKey is LFXGBOYNXACLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-7-16(14-8-5-4-6-9-14)17(20)19-12-10-15(18-2)11-13-19/h4-6,8-9,15-16,18H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one?
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one is sourced from PubChem (CID 119560444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).