N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide

C23H24N4O — CID 90545933

IUPACN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ncn2)CC1
InChIInChI=1S/C23H24N4O/c1-17-11-13-27(14-12-17)22-15-21(24-16-25-22)26-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,24,25,26,28)
InChIKeyLDYHMVQIABTXSR-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.63
Rot. Bonds4

About N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide (PubChem CID 90545933) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
PubChem CID90545933
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ncn2)CC1
InChIInChI=1S/C23H24N4O/c1-17-11-13-27(14-12-17)22-15-21(24-16-25-22)26-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,24,25,26,28)
InChIKeyLDYHMVQIABTXSR-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
CID 90546179
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198
N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43991300
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90545273

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide?
The IUPAC name of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide (CID 90545933) is N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide?
The canonical SMILES for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide is CC1CCN(c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ncn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide?
The InChIKey is LDYHMVQIABTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-11-13-27(14-12-17)22-15-21(24-16-25-22)26-23(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,15-17H,11-14H2,1H3,(H,24,25,26,28).
What are the key properties of N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide?
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide is sourced from PubChem (CID 90545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).