2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C26H28N4O2 — CID 24719002

IUPAC2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28N4O2/c1-19-8-10-21(11-9-19)25(31)29-22-12-15-30(16-13-22)24-7-3-2-6-23(24)26(32)28-18-20-5-4-14-27-17-20/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31)
InChIKeySETJGOLWDYHUSX-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.72
Rot. Bonds6

About 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24719002) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID24719002
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28N4O2/c1-19-8-10-21(11-9-19)25(31)29-22-12-15-30(16-13-22)24-7-3-2-6-23(24)26(32)28-18-20-5-4-14-27-17-20/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31)
InChIKeySETJGOLWDYHUSX-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-methylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 42762515
2-(4-benzylpiperidin-1-yl)-5-[(4-bromobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 3255178
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 24719002) is 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SETJGOLWDYHUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-8-10-21(11-9-19)25(31)29-22-12-15-30(16-13-22)24-7-3-2-6-23(24)26(32)28-18-20-5-4-14-27-17-20/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 428.54 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 24719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).