N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride

C24H33ClN2O2 — CID 45262478

IUPACN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3;/h6-12,17,19,23,25H,4-5,13-16H2,1-3H3;1H
InChIKeyROFRXQJPOXGPMK-UHFFFAOYSA-N
MW416.99 g/mol
LogP4.73
Rot. Bonds7

About N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride

N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride (PubChem CID 45262478) has the molecular formula C24H33ClN2O2 and a molecular weight of 416.99 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride
PubChem CID45262478
Molecular FormulaC24H33ClN2O2
Molecular Weight416.99 g/mol
Exact Mass416.22
IUPAC NameN,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1.Cl
InChIInChI=1S/C24H32N2O2.ClH/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3;/h6-12,17,19,23,25H,4-5,13-16H2,1-3H3;1H
InChIKeyROFRXQJPOXGPMK-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.99
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl carbamic acid 3'-carbamoylbiphenyl-3-yl ester
CID 1383884
Snc 80
CID 123924
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
CID 24766011
PF-429242
CID 23661637
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
N-(4-methoxyphenethyl)benzamide
CID 3083797
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride (CID 45262478) is N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride is CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)C2CCNCC2)cc1.Cl.
What is the InChIKey of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride?
The InChIKey is ROFRXQJPOXGPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.ClH/c1-4-26(5-2)24(27)20-11-9-18(10-12-20)23(19-13-15-25-16-14-19)21-7-6-8-22(17-21)28-3;/h6-12,17,19,23,25H,4-5,13-16H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride?
N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride has a molecular weight of 416.99 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylmethyl]benzamide;hydrochloride is sourced from PubChem (CID 45262478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).