N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C18H30N6O2 — CID 53165817

IUPACN-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H30N6O2/c1-22(2)8-5-20-18(25)15-3-6-23(7-4-15)16-13-19-14-21-17(16)24-9-11-26-12-10-24/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyTXOLSPSBUCCOPH-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165817) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165817
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C18H30N6O2/c1-22(2)8-5-20-18(25)15-3-6-23(7-4-15)16-13-19-14-21-17(16)24-9-11-26-12-10-24/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyTXOLSPSBUCCOPH-UHFFFAOYSA-N
XLogP0.21
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165817) is N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CN(C)CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is TXOLSPSBUCCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-22(2)8-5-20-18(25)15-3-6-23(7-4-15)16-13-19-14-21-17(16)24-9-11-26-12-10-24/h13-15H,3-12H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).