N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

C23H32N6O2 — CID 53165885

IUPACN-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C23H32N6O2/c1-27-11-13-29(14-12-27)22-21(16-24-17-26-22)28-9-7-19(8-10-28)23(30)25-15-18-3-5-20(31-2)6-4-18/h3-6,16-17,19H,7-15H2,1-2H3,(H,25,30)
InChIKeyFQJDINCMVNWLAB-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.77
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (PubChem CID 53165885) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
PubChem CID53165885
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C23H32N6O2/c1-27-11-13-29(14-12-27)22-21(16-24-17-26-22)28-9-7-19(8-10-28)23(30)25-15-18-3-5-20(31-2)6-4-18/h3-6,16-17,19H,7-15H2,1-2H3,(H,25,30)
InChIKeyFQJDINCMVNWLAB-UHFFFAOYSA-N
XLogP1.77
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165874
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 95100802
N-[(4-ethylphenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165858
N-[[4-(dimethylamino)phenyl]methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165860
N-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165881
N-butan-2-yl-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
CID 53165875
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide (CID 53165885) is N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3cncnc3N3CCN(C)CC3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
The InChIKey is FQJDINCMVNWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-27-11-13-29(14-12-27)22-21(16-24-17-26-22)28-9-7-19(8-10-28)23(30)25-15-18-3-5-20(31-2)6-4-18/h3-6,16-17,19H,7-15H2,1-2H3,(H,25,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53165885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).