N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide

C15H23N5O2 — CID 110257985

IUPACN-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESCN1CCC(NC(=O)C2CN(c3cncnc3)CCO2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-4-2-12(3-5-19)18-15(21)14-10-20(6-7-22-14)13-8-16-11-17-9-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,18,21)
InChIKeyIPCNZGVMOFHBKE-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.11
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide

N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide (PubChem CID 110257985) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
PubChem CID110257985
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESCN1CCC(NC(=O)C2CN(c3cncnc3)CCO2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-4-2-12(3-5-19)18-15(21)14-10-20(6-7-22-14)13-8-16-11-17-9-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,18,21)
InChIKeyIPCNZGVMOFHBKE-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide (CID 110257985) is N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide is CN1CCC(NC(=O)C2CN(c3cncnc3)CCO2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The InChIKey is IPCNZGVMOFHBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19-4-2-12(3-5-19)18-15(21)14-10-20(6-7-22-14)13-8-16-11-17-9-13/h8-9,11-12,14H,2-7,10H2,1H3,(H,18,21).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide is sourced from PubChem (CID 110257985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).