1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C22H34N6O2 — CID 53031071

IUPAC1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H34N6O2/c1-17-5-10-24-21(25-17)27-13-6-18(7-14-27)19(29)26-15-8-22(9-16-26,20(23)30)28-11-3-2-4-12-28/h5,10,18H,2-4,6-9,11-16H2,1H3,(H2,23,30)
InChIKeyLAGLNJDXDUYXRN-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.33
Rot. Bonds4

About 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 53031071) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID53031071
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC Name1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)n1
InChIInChI=1S/C22H34N6O2/c1-17-5-10-24-21(25-17)27-13-6-18(7-14-27)19(29)26-15-8-22(9-16-26,20(23)30)28-11-3-2-4-12-28/h5,10,18H,2-4,6-9,11-16H2,1H3,(H2,23,30)
InChIKeyLAGLNJDXDUYXRN-UHFFFAOYSA-N
XLogP1.33
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 53031071) is 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)CC2)n1.
What is the InChIKey of 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is LAGLNJDXDUYXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-17-5-10-24-21(25-17)27-13-6-18(7-14-27)19(29)26-15-8-22(9-16-26,20(23)30)28-11-3-2-4-12-28/h5,10,18H,2-4,6-9,11-16H2,1H3,(H2,23,30).
What are the key properties of 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpyrimidin-2-yl)piperidine-4-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53031071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).