2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide

C26H30N4O — CID 126462471

IUPAC2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(NCc4ccccn4)CC3)cc2)c(C)c1
InChIInChI=1S/C26H30N4O/c1-19-6-11-25(20(2)17-19)26(31)29-22-7-9-24(10-8-22)30-15-12-21(13-16-30)28-18-23-5-3-4-14-27-23/h3-11,14,17,21,28H,12-13,15-16,18H2,1-2H3,(H,29,31)
InChIKeyDTQFRYMVGWRXEP-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.71
Rot. Bonds6

About 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide

2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide (PubChem CID 126462471) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
PubChem CID126462471
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCC(NCc4ccccn4)CC3)cc2)c(C)c1
InChIInChI=1S/C26H30N4O/c1-19-6-11-25(20(2)17-19)26(31)29-22-7-9-24(10-8-22)30-15-12-21(13-16-30)28-18-23-5-3-4-14-27-23/h3-11,14,17,21,28H,12-13,15-16,18H2,1-2H3,(H,29,31)
InChIKeyDTQFRYMVGWRXEP-UHFFFAOYSA-N
XLogP4.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(2,3-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26331342
N-[4-[4-[(2,4-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42451584
2,4-dimethyl-N-[4-[4-(oxolan-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide
CID 118758657
N-[4-[4-[2-(furan-2-yl)ethylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 42277195
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42405693
N-[4-[4-[[(2S)-2,3-dihydroxypropyl]-methylamino]piperidin-1-yl]phenyl]-2,4-dimethylbenzamide
CID 26341946
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
2,4-dimethyl-N-[4-[4-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]piperidin-1-yl]phenyl]benzamide
CID 42246985
2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
2-fluoro-N-[4-[4-[(2-phenyltriazol-4-yl)methylamino]piperidin-1-yl]phenyl]benzamide
CID 42473065

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide (CID 126462471) is 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCC(NCc4ccccn4)CC3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide?
The InChIKey is DTQFRYMVGWRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19-6-11-25(20(2)17-19)26(31)29-22-7-9-24(10-8-22)30-15-12-21(13-16-30)28-18-23-5-3-4-14-27-23/h3-11,14,17,21,28H,12-13,15-16,18H2,1-2H3,(H,29,31).
What are the key properties of 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide?
2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 126462471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).