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

C17H27N5O3 — CID 70756598

IUPACN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C17H27N5O3/c1-20-16(23)11-14(12-19-20)22-9-10-25-15(13-22)5-6-18-17(24)21-7-3-2-4-8-21/h11-12,15H,2-10,13H2,1H3,(H,18,24)
InChIKeyXDCVIKDZXMUSIR-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.57
Rot. Bonds4

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

N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide (PubChem CID 70756598) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide
PubChem CID70756598
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide
SMILESCn1ncc(N2CCOC(CCNC(=O)N3CCCCC3)C2)cc1=O
InChIInChI=1S/C17H27N5O3/c1-20-16(23)11-14(12-19-20)22-9-10-25-15(13-22)5-6-18-17(24)21-7-3-2-4-8-21/h11-12,15H,2-10,13H2,1H3,(H,18,24)
InChIKeyXDCVIKDZXMUSIR-UHFFFAOYSA-N
XLogP0.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide (CID 70756598) is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide is Cn1ncc(N2CCOC(CCNC(=O)N3CCCCC3)C2)cc1=O.
What is the InChIKey of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is XDCVIKDZXMUSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20-16(23)11-14(12-19-20)22-9-10-25-15(13-22)5-6-18-17(24)21-7-3-2-4-8-21/h11-12,15H,2-10,13H2,1H3,(H,18,24).
What are the key properties of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide?
N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 70756598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).