2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane

C18H29ClN2O — CID 143898395

IUPAC2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane
SMILESCC.CC1CCN(C(=O)C(N)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O.C2H6/c1-12-8-10-19(11-9-12)16(20)15(18)7-6-13-4-2-3-5-14(13)17;1-2/h2-5,12,15H,6-11,18H2,1H3;1-2H3
InChIKeyACPVZIYPJUFIAW-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane

2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane (PubChem CID 143898395) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane
PubChem CID143898395
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane
SMILESCC.CC1CCN(C(=O)C(N)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O.C2H6/c1-12-8-10-19(11-9-12)16(20)15(18)7-6-13-4-2-3-5-14(13)17;1-2/h2-5,12,15H,6-11,18H2,1H3;1-2H3
InChIKeyACPVZIYPJUFIAW-UHFFFAOYSA-N
XLogP3.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 66997528
4-(2-chlorophenyl)-2-(3-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;thiohydroxylamine
CID 143898293
1-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]indole-4-sulfonamide
CID 90329296
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
3-[3-amino-4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzonitrile
CID 66996980
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-benzothiophene-3-sulfonamide
CID 58504935
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
CID 155955397
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane (CID 143898395) is 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane is CC.CC1CCN(C(=O)C(N)CCc2ccccc2Cl)CC1.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane?
The InChIKey is ACPVZIYPJUFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.C2H6/c1-12-8-10-19(11-9-12)16(20)15(18)7-6-13-4-2-3-5-14(13)17;1-2/h2-5,12,15H,6-11,18H2,1H3;1-2H3.
What are the key properties of 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane?
2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane has a molecular weight of 324.90 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)butan-1-one;ethane is sourced from PubChem (CID 143898395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).