4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

C21H33ClN2O2 — CID 119557544

IUPAC4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-16(2)14-17-5-7-19(8-6-17)20(24)9-10-21(25)23-13-11-18-4-3-12-22-15-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,25);1H
InChIKeyBFKNKIIBPNVPPO-UHFFFAOYSA-N
MW380.96 g/mol
LogP3.78
Rot. Bonds9

About 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride

4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (PubChem CID 119557544) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
PubChem CID119557544
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC Name4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-16(2)14-17-5-7-19(8-6-17)20(24)9-10-21(25)23-13-11-18-4-3-12-22-15-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,25);1H
InChIKeyBFKNKIIBPNVPPO-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
N-(2-aminoethyl)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119384014
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
CID 120948573
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-chloro-N-[4-oxo-4-(2-piperidin-3-ylethylamino)butyl]benzamide;hydrochloride
CID 119557355
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride (CID 119557544) is 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is CC(C)Cc1ccc(C(=O)CCC(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
The InChIKey is BFKNKIIBPNVPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.ClH/c1-16(2)14-17-5-7-19(8-6-17)20(24)9-10-21(25)23-13-11-18-4-3-12-22-15-18;/h5-8,16,18,22H,3-4,9-15H2,1-2H3,(H,23,25);1H.
What are the key properties of 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride?
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119557544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).