3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one

C20H31N3O — CID 22135168

IUPAC3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(=O)CNc1ccccc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-21-20(19(24)15-22-17-7-3-2-4-8-17)16-11-13-23(14-12-16)18-9-5-6-10-18/h2-4,7-8,16,18,20-22H,5-6,9-15H2,1H3
InChIKeyMXDBIJCNEWYSSY-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.91
Rot. Bonds7

About 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one

3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one (PubChem CID 22135168) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one
PubChem CID22135168
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(=O)CNc1ccccc1)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-21-20(19(24)15-22-17-7-3-2-4-8-17)16-11-13-23(14-12-16)18-9-5-6-10-18/h2-4,7-8,16,18,20-22H,5-6,9-15H2,1H3
InChIKeyMXDBIJCNEWYSSY-UHFFFAOYSA-N
XLogP2.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
N-(1-cyclopentylpiperidin-4-yl)oxyaniline
CID 141120848
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
CID 71866711
2-anilino-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729649
2-anilino-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 54927274
2-anilino-1-cyclobutylethanone
CID 116555468
N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
CID 17369346

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one?
The IUPAC name of 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one (CID 22135168) is 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one?
The canonical SMILES for 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one is CNC(C(=O)CNc1ccccc1)C1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one?
The InChIKey is MXDBIJCNEWYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21-20(19(24)15-22-17-7-3-2-4-8-17)16-11-13-23(14-12-16)18-9-5-6-10-18/h2-4,7-8,16,18,20-22H,5-6,9-15H2,1H3.
What are the key properties of 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one?
3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one has a molecular weight of 329.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(1-cyclopentylpiperidin-4-yl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 22135168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).