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

C18H29N5O3 — CID 56904688

IUPAC4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)C3(C)CCNCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-18(4-7-19-8-5-18)17(25)20-6-3-15-13-23(9-10-26-15)14-11-16(24)22(2)21-12-14/h11-12,15,19H,3-10,13H2,1-2H3,(H,20,25)
InChIKeyUZSSCGAJEFFOAI-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.12
Rot. Bonds5

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

4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide (PubChem CID 56904688) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
PubChem CID56904688
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)C3(C)CCNCC3)C2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-18(4-7-19-8-5-18)17(25)20-6-3-15-13-23(9-10-26-15)14-11-16(24)22(2)21-12-14/h11-12,15,19H,3-10,13H2,1-2H3,(H,20,25)
InChIKeyUZSSCGAJEFFOAI-UHFFFAOYSA-N
XLogP-0.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide (CID 56904688) is 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide is Cn1ncc(N2CCOC(CCNC(=O)C3(C)CCNCC3)C2)cc1=O.
What is the InChIKey of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is UZSSCGAJEFFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-18(4-7-19-8-5-18)17(25)20-6-3-15-13-23(9-10-26-15)14-11-16(24)22(2)21-12-14/h11-12,15,19H,3-10,13H2,1-2H3,(H,20,25).
What are the key properties of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide?
4-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 -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56904688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).