(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide

C14H22N4O2 — CID 164630972

IUPAC(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)[C@H]1CCCN(C(=O)NCc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)11-4-3-7-18(9-11)14(20)15-8-12-5-6-13(19)17-16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,20)(H,17,19)/t11-/m0/s1
InChIKeyUERPVMLDKVCXGY-NSHDSACASA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds3

About (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide

(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide (PubChem CID 164630972) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
PubChem CID164630972
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)[C@H]1CCCN(C(=O)NCc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)11-4-3-7-18(9-11)14(20)15-8-12-5-6-13(19)17-16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,20)(H,17,19)/t11-/m0/s1
InChIKeyUERPVMLDKVCXGY-NSHDSACASA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide (CID 164630972) is (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide is CC(C)[C@H]1CCCN(C(=O)NCc2ccc(=O)[nH]n2)C1.
What is the InChIKey of (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UERPVMLDKVCXGY-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)11-4-3-7-18(9-11)14(20)15-8-12-5-6-13(19)17-16-12/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,20)(H,17,19)/t11-/m0/s1.
What are the key properties of (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide?
(3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 164630972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).