N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide

C22H29N3O — CID 145450109

IUPACN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN3CCC(N(C)C)CC3)cc2)c1
InChIInChI=1S/C22H29N3O/c1-17-5-4-6-19(15-17)22(26)23-20-9-7-18(8-10-20)16-25-13-11-21(12-14-25)24(2)3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyRWXZQSASBIKSDS-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.77
Rot. Bonds5

About N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide

N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide (PubChem CID 145450109) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
PubChem CID145450109
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CN3CCC(N(C)C)CC3)cc2)c1
InChIInChI=1S/C22H29N3O/c1-17-5-4-6-19(15-17)22(26)23-20-9-7-18(8-10-20)16-25-13-11-21(12-14-25)24(2)3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyRWXZQSASBIKSDS-UHFFFAOYSA-N
XLogP3.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-methylamino]-4-pyridinyl]-3-methylbenzamide
CID 44528177
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]acenaphthylene-1-carboxamide
CID 158229022
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
CID 56707701
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55911957
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide (CID 145450109) is N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(CN3CCC(N(C)C)CC3)cc2)c1.
What is the InChIKey of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide?
The InChIKey is RWXZQSASBIKSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-5-4-6-19(15-17)22(26)23-20-9-7-18(8-10-20)16-25-13-11-21(12-14-25)24(2)3/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide?
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 145450109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).