N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C18H29N5O2 — CID 53165821

IUPACN-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)11-20-18(24)15-3-5-22(6-4-15)16-12-19-13-21-17(16)23-7-9-25-10-8-23/h12-15H,3-11H2,1-2H3,(H,20,24)
InChIKeyPBWWPMGQTQXQGX-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.30
Rot. Bonds5

About N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165821) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165821
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)11-20-18(24)15-3-5-22(6-4-15)16-12-19-13-21-17(16)23-7-9-25-10-8-23/h12-15H,3-11H2,1-2H3,(H,20,24)
InChIKeyPBWWPMGQTQXQGX-UHFFFAOYSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165821) is N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is PBWWPMGQTQXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)11-20-18(24)15-3-5-22(6-4-15)16-12-19-13-21-17(16)23-7-9-25-10-8-23/h12-15H,3-11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).