N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C23H29ClN2O — CID 46773354

IUPACN-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C23H29ClN2O/c1-18-12-15-26(16-13-18)17-19-8-10-21(11-9-19)23(27)25-14-4-6-20-5-2-3-7-22(20)24/h2-3,5,7-11,18H,4,6,12-17H2,1H3,(H,25,27)
InChIKeyUZJNXBKUKHHABL-UHFFFAOYSA-N
MW384.95 g/mol
LogP4.93
Rot. Bonds7

About N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 46773354) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID46773354
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C23H29ClN2O/c1-18-12-15-26(16-13-18)17-19-8-10-21(11-9-19)23(27)25-14-4-6-20-5-2-3-7-22(20)24/h2-3,5,7-11,18H,4,6,12-17H2,1H3,(H,25,27)
InChIKeyUZJNXBKUKHHABL-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 54.93
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

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283577
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 46773354) is N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is UZJNXBKUKHHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-18-12-15-26(16-13-18)17-19-8-10-21(11-9-19)23(27)25-14-4-6-20-5-2-3-7-22(20)24/h2-3,5,7-11,18H,4,6,12-17H2,1H3,(H,25,27).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 384.95 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 46773354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).