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

C26H28N4O3 — CID 46037614

IUPAC2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C26H28N4O3/c31-25(19-33-22-8-2-1-3-9-22)29-21-12-15-30(16-13-21)24-11-5-4-10-23(24)26(32)28-18-20-7-6-14-27-17-20/h1-11,14,17,21H,12-13,15-16,18-19H2,(H,28,32)(H,29,31)
InChIKeyVLSXKCMSOLIHTP-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.18
Rot. Bonds8

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

2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46037614) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46037614
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(COc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C26H28N4O3/c31-25(19-33-22-8-2-1-3-9-22)29-21-12-15-30(16-13-21)24-11-5-4-10-23(24)26(32)28-18-20-7-6-14-27-17-20/h1-11,14,17,21H,12-13,15-16,18-19H2,(H,28,32)(H,29,31)
InChIKeyVLSXKCMSOLIHTP-UHFFFAOYSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42848524
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-2-phenoxyacetamide
CID 46038010
N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 46037614) is 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(COc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VLSXKCMSOLIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-25(19-33-22-8-2-1-3-9-22)29-21-12-15-30(16-13-21)24-11-5-4-10-23(24)26(32)28-18-20-7-6-14-27-17-20/h1-11,14,17,21H,12-13,15-16,18-19H2,(H,28,32)(H,29,31).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46037614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).