4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide

C16H22Cl2N2O — CID 119462608

IUPAC4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NCC1CCCNC1
InChIInChI=1S/C16H22Cl2N2O/c17-14-7-6-12(9-15(14)18)3-1-5-16(21)20-11-13-4-2-8-19-10-13/h6-7,9,13,19H,1-5,8,10-11H2,(H,20,21)
InChIKeyKJEDRJOBAYOMFV-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.43
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide

4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119462608) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119462608
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NCC1CCCNC1
InChIInChI=1S/C16H22Cl2N2O/c17-14-7-6-12(9-15(14)18)3-1-5-16(21)20-11-13-4-2-8-19-10-13/h6-7,9,13,19H,1-5,8,10-11H2,(H,20,21)
InChIKeyKJEDRJOBAYOMFV-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
CID 167751742
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide (CID 119462608) is 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide is O=C(CCCc1ccc(Cl)c(Cl)c1)NCC1CCCNC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is KJEDRJOBAYOMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-7-6-12(9-15(14)18)3-1-5-16(21)20-11-13-4-2-8-19-10-13/h6-7,9,13,19H,1-5,8,10-11H2,(H,20,21).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide?
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 329.27 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119462608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).