1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide

C24H32N6O2 — CID 108741161

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-17-16-18(2)26-24(25-17)30-10-8-19(9-11-30)22(31)27-21-6-4-20(5-7-21)23(32)29-14-12-28(3)13-15-29/h4-7,16,19H,8-15H2,1-3H3,(H,27,31)
InChIKeyBWVKHBYGLKIYNX-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.34
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 108741161) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID108741161
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)CC2)n1
InChIInChI=1S/C24H32N6O2/c1-17-16-18(2)26-24(25-17)30-10-8-19(9-11-30)22(31)27-21-6-4-20(5-7-21)23(32)29-14-12-28(3)13-15-29/h4-7,16,19H,8-15H2,1-3H3,(H,27,31)
InChIKeyBWVKHBYGLKIYNX-UHFFFAOYSA-N
XLogP2.34
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 108805731
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108805765
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 108741161) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BWVKHBYGLKIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-16-18(2)26-24(25-17)30-10-8-19(9-11-30)22(31)27-21-6-4-20(5-7-21)23(32)29-14-12-28(3)13-15-29/h4-7,16,19H,8-15H2,1-3H3,(H,27,31).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 108741161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).