N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide

C18H29N5O2 — CID 53165824

IUPACN-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-6-21(2)18(24)15-4-7-22(8-5-15)16-13-19-14-20-17(16)23-9-11-25-12-10-23/h13-15H,3-12H2,1-2H3
InChIKeyDSVWDMUDSIFOSB-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide

N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 53165824) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide
PubChem CID53165824
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-6-21(2)18(24)15-4-7-22(8-5-15)16-13-19-14-20-17(16)23-9-11-25-12-10-23/h13-15H,3-12H2,1-2H3
InChIKeyDSVWDMUDSIFOSB-UHFFFAOYSA-N
XLogP1.40
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide (CID 53165824) is N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide is CCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is DSVWDMUDSIFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-6-21(2)18(24)15-4-7-22(8-5-15)16-13-19-14-20-17(16)23-9-11-25-12-10-23/h13-15H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide?
N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53165824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).