N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide

C23H30N2O — CID 14553628

IUPACN-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide
SMILESCc1cccc(CN2CCC(CCN(C)C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O/c1-19-7-6-8-21(17-19)18-25-15-12-20(13-16-25)11-14-24(2)23(26)22-9-4-3-5-10-22/h3-10,17,20H,11-16,18H2,1-2H3
InChIKeyCVRPWRGIDXBEBH-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.37
Rot. Bonds6

About N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide

N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide (PubChem CID 14553628) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide
PubChem CID14553628
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide
SMILESCc1cccc(CN2CCC(CCN(C)C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O/c1-19-7-6-8-21(17-19)18-25-15-12-20(13-16-25)11-14-24(2)23(26)22-9-4-3-5-10-22/h3-10,17,20H,11-16,18H2,1-2H3
InChIKeyCVRPWRGIDXBEBH-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide (CID 14553628) is N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide is Cc1cccc(CN2CCC(CCN(C)C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide?
The InChIKey is CVRPWRGIDXBEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-19-7-6-8-21(17-19)18-25-15-12-20(13-16-25)11-14-24(2)23(26)22-9-4-3-5-10-22/h3-10,17,20H,11-16,18H2,1-2H3.
What are the key properties of N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide?
N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide has a molecular weight of 350.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 14553628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).