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

C26H28N4O3 — CID 46037601

IUPAC2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-10-8-20(9-11-22)25(31)29-21-12-15-30(16-13-21)24-7-3-2-6-23(24)26(32)28-18-19-5-4-14-27-17-19/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31)
InChIKeyXICHNDRRPFRTBK-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.42
Rot. Bonds7

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

2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46037601) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46037601
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-10-8-20(9-11-22)25(31)29-21-12-15-30(16-13-21)24-7-3-2-6-23(24)26(32)28-18-19-5-4-14-27-17-19/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31)
InChIKeyXICHNDRRPFRTBK-UHFFFAOYSA-N
XLogP3.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
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-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42762459
5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 1054188

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 46037601) is 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is COc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XICHNDRRPFRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-22-10-8-20(9-11-22)25(31)29-21-12-15-30(16-13-21)24-7-3-2-6-23(24)26(32)28-18-19-5-4-14-27-17-19/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46037601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).