N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide

C22H26Cl2N2O — CID 122188495

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/c23-20-14-19(15-21(24)16-20)22(27)25-9-4-10-26-11-7-18(8-12-26)13-17-5-2-1-3-6-17/h1-3,5-6,14-16,18H,4,7-13H2,(H,25,27)
InChIKeyIBNJJBGOQUDBKY-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.07
Rot. Bonds7

About N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide (PubChem CID 122188495) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide
PubChem CID122188495
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/c23-20-14-19(15-21(24)16-20)22(27)25-9-4-10-26-11-7-18(8-12-26)13-17-5-2-1-3-6-17/h1-3,5-6,14-16,18H,4,7-13H2,(H,25,27)
InChIKeyIBNJJBGOQUDBKY-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Saredutant
CID 104974
2-Chloro-N-phenethyl-benzamide
CID 692233
Jnj-63533054
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3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 45115620
4-Chloro-N-phenethylbenzamide
CID 306479
3-Chloro-N-(3-quinuclidinyl)benzamide
CID 2802540
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide (CID 122188495) is N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide?
The InChIKey is IBNJJBGOQUDBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c23-20-14-19(15-21(24)16-20)22(27)25-9-4-10-26-11-7-18(8-12-26)13-17-5-2-1-3-6-17/h1-3,5-6,14-16,18H,4,7-13H2,(H,25,27).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide has a molecular weight of 405.37 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 122188495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).