N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C18H27Cl3N2O — CID 119813601

IUPACN-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-13(14-6-9-21-10-7-14)11-18(23)22-8-2-3-15-4-5-16(19)12-17(15)20;/h4-5,12-14,21H,2-3,6-11H2,1H3,(H,22,23);1H
InChIKeyQWGQQPSFQLVDQL-UHFFFAOYSA-N
MW393.79 g/mol
LogP4.49
Rot. Bonds7

About N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119813601) has the molecular formula C18H27Cl3N2O and a molecular weight of 393.79 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119813601
Molecular FormulaC18H27Cl3N2O
Molecular Weight393.79 g/mol
Exact Mass392.12
IUPAC NameN-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCc1ccc(Cl)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-13(14-6-9-21-10-7-14)11-18(23)22-8-2-3-15-4-5-16(19)12-17(15)20;/h4-5,12-14,21H,2-3,6-11H2,1H3,(H,22,23);1H
InChIKeyQWGQQPSFQLVDQL-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119698372
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119704315
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119813601) is N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCCc1ccc(Cl)cc1Cl)C1CCNCC1.Cl.
What is the InChIKey of N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QWGQQPSFQLVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O.ClH/c1-13(14-6-9-21-10-7-14)11-18(23)22-8-2-3-15-4-5-16(19)12-17(15)20;/h4-5,12-14,21H,2-3,6-11H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 393.79 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119813601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).