1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide

C18H29N5O3 — CID 56891455

IUPAC1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H29N5O3/c1-21-7-4-14(5-8-21)18(25)19-6-3-16-13-23(9-10-26-16)15-11-17(24)22(2)20-12-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,19,25)
InChIKeyDFVMMQGHYXWIGT-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.17
Rot. Bonds5

About 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide

1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide (PubChem CID 56891455) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
PubChem CID56891455
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H29N5O3/c1-21-7-4-14(5-8-21)18(25)19-6-3-16-13-23(9-10-26-16)15-11-17(24)22(2)20-12-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,19,25)
InChIKeyDFVMMQGHYXWIGT-UHFFFAOYSA-N
XLogP-0.17
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide (CID 56891455) is 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide is CN1CCC(C(=O)NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1.
What is the InChIKey of 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is DFVMMQGHYXWIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21-7-4-14(5-8-21)18(25)19-6-3-16-13-23(9-10-26-16)15-11-17(24)22(2)20-12-15/h11-12,14,16H,3-10,13H2,1-2H3,(H,19,25).
What are the key properties of 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56891455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).