2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

C18H28Cl2N2O — CID 120554452

IUPAC2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NC1CCNCC1C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-16-10-11-20-12-13(16)3;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H
InChIKeyMZARDUAPLGAENY-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120554452) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120554452
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NC1CCNCC1C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-16-10-11-20-12-13(16)3;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H
InChIKeyMZARDUAPLGAENY-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2,2-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
CID 169209441
2-(3-chlorophenyl)-2-methyl-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554098
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
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CID 120557919
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120553350
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557411
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120554452) is 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is CCC(CC)(C(=O)NC1CCNCC1C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is MZARDUAPLGAENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O.ClH/c1-4-18(5-2,14-6-8-15(19)9-7-14)17(22)21-16-10-11-20-12-13(16)3;/h6-9,13,16,20H,4-5,10-12H2,1-3H3,(H,21,22);1H.
What are the key properties of 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120554452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).