2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

C23H24N4O2 — CID 122353084

IUPAC2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(20-11-5-6-12-21(20)29-19-9-3-1-4-10-19)25-17-18-13-14-24-23(26-18)27-15-7-2-8-16-27/h1,3-6,9-14H,2,7-8,15-17H2,(H,25,28)
InChIKeyQGMJECIMQDAWEN-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.19
Rot. Bonds6

About 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122353084) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID122353084
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(20-11-5-6-12-21(20)29-19-9-3-1-4-10-19)25-17-18-13-14-24-23(26-18)27-15-7-2-8-16-27/h1,3-6,9-14H,2,7-8,15-17H2,(H,25,28)
InChIKeyQGMJECIMQDAWEN-UHFFFAOYSA-N
XLogP4.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 122353084) is 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is QGMJECIMQDAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(20-11-5-6-12-21(20)29-19-9-3-1-4-10-19)25-17-18-13-14-24-23(26-18)27-15-7-2-8-16-27/h1,3-6,9-14H,2,7-8,15-17H2,(H,25,28).
What are the key properties of 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122353084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).