N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride

C21H33ClN2O2 — CID 120553973

IUPACN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-3-4-5-6-17-7-9-18(10-8-17)20(24)11-12-21(25)23-19-13-14-22-15-16(19)2;/h7-10,16,19,22H,3-6,11-15H2,1-2H3,(H,23,25);1H
InChIKeyLWUBXJKNDQKXRD-UHFFFAOYSA-N
MW380.96 g/mol
LogP3.92
Rot. Bonds9

About N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride (PubChem CID 120553973) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
PubChem CID120553973
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC NameN-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C21H32N2O2.ClH/c1-3-4-5-6-17-7-9-18(10-8-17)20(24)11-12-21(25)23-19-13-14-22-15-16(19)2;/h7-10,16,19,22H,3-6,11-15H2,1-2H3,(H,23,25);1H
InChIKeyLWUBXJKNDQKXRD-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride (CID 120553973) is N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride is CCCCCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride?
The InChIKey is LWUBXJKNDQKXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.ClH/c1-3-4-5-6-17-7-9-18(10-8-17)20(24)11-12-21(25)23-19-13-14-22-15-16(19)2;/h7-10,16,19,22H,3-6,11-15H2,1-2H3,(H,23,25);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 120553973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).