2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide

C26H33N5O — CID 42405693

IUPAC2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(N(C)Cc4nccn4C)CC3)cc2)c(C)c1
InChIInChI=1S/C26H33N5O/c1-19-5-10-24(20(2)17-19)26(32)28-21-6-8-23(9-7-21)31-14-11-22(12-15-31)30(4)18-25-27-13-16-29(25)3/h5-10,13,16-17,22H,11-12,14-15,18H2,1-4H3,(H,28,32)
InChIKeyGAMVKKOAVHQPAU-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.39
Rot. Bonds6

About 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide

2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide (PubChem CID 42405693) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
PubChem CID42405693
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(N(C)Cc4nccn4C)CC3)cc2)c(C)c1
InChIInChI=1S/C26H33N5O/c1-19-5-10-24(20(2)17-19)26(32)28-21-6-8-23(9-7-21)31-14-11-22(12-15-31)30(4)18-25-27-13-16-29(25)3/h5-10,13,16-17,22H,11-12,14-15,18H2,1-4H3,(H,28,32)
InChIKeyGAMVKKOAVHQPAU-UHFFFAOYSA-N
XLogP4.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26341946
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 126462471
2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42277195
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
2,4-dimethyl-N-[4-[4-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]piperidin-1-yl]phenyl]benzamide
CID 42246985
N-[4-[4-[(2,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42451584
N-[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26331342
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide (CID 42405693) is 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCC(N(C)Cc4nccn4C)CC3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide?
The InChIKey is GAMVKKOAVHQPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-19-5-10-24(20(2)17-19)26(32)28-21-6-8-23(9-7-21)31-14-11-22(12-15-31)30(4)18-25-27-13-16-29(25)3/h5-10,13,16-17,22H,11-12,14-15,18H2,1-4H3,(H,28,32).
What are the key properties of 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide?
2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 42405693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).