1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide

C21H34N6O2 — CID 51112532

IUPAC1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCN(C(C)C(=O)N3CCC(C(N)=O)CC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H34N6O2/c1-14(2)20-23-15(3)13-18(24-20)26-11-9-25(10-12-26)16(4)21(29)27-7-5-17(6-8-27)19(22)28/h13-14,16-17H,5-12H2,1-4H3,(H2,22,28)
InChIKeyKRWSAPKAEXQDHL-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide

1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 51112532) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
PubChem CID51112532
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide
SMILESCc1cc(N2CCN(C(C)C(=O)N3CCC(C(N)=O)CC3)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H34N6O2/c1-14(2)20-23-15(3)13-18(24-20)26-11-9-25(10-12-26)16(4)21(29)27-7-5-17(6-8-27)19(22)28/h13-14,16-17H,5-12H2,1-4H3,(H2,22,28)
InChIKeyKRWSAPKAEXQDHL-UHFFFAOYSA-N
XLogP1.14
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
N-carbamoyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631339
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
N-[(2S)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 31669174
methyl 1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 112731117
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 42895887
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
1-(2-hydrazinyl-6-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 80917080
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide (CID 51112532) is 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide is Cc1cc(N2CCN(C(C)C(=O)N3CCC(C(N)=O)CC3)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is KRWSAPKAEXQDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-14(2)20-23-15(3)13-18(24-20)26-11-9-25(10-12-26)16(4)21(29)27-7-5-17(6-8-27)19(22)28/h13-14,16-17H,5-12H2,1-4H3,(H2,22,28).
What are the key properties of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide?
1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51112532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).