N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

C22H28N2O — CID 22109708

IUPACN,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1C
InChIInChI=1S/C22H28N2O/c1-17-11-12-19(15-18(17)2)22(25)23(3)16-20-9-5-6-10-21(20)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
InChIKeyYPUWGMGQHVVYPI-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.57
Rot. Bonds4

About N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide

N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 22109708) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID22109708
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1C
InChIInChI=1S/C22H28N2O/c1-17-11-12-19(15-18(17)2)22(25)23(3)16-20-9-5-6-10-21(20)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
InChIKeyYPUWGMGQHVVYPI-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452
4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551575
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665
3-(3,4-dimethylphenyl)-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 8561944
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
4-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide
CID 7494622

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide (CID 22109708) is N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is YPUWGMGQHVVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-11-12-19(15-18(17)2)22(25)23(3)16-20-9-5-6-10-21(20)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3.
What are the key properties of N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide?
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 22109708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).