3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

C14H22N4O2 — CID 103805714

IUPAC3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCC(C)NCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)15-8-11-4-3-7-18(9-11)14(20)12-5-6-13(19)17-16-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyWOOLBAVFOFPKFN-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds4

About 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 103805714) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID103805714
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCC(C)NCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C14H22N4O2/c1-10(2)15-8-11-4-3-7-18(9-11)14(20)12-5-6-13(19)17-16-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyWOOLBAVFOFPKFN-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
3-[3-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 90505304
3-[3-[(4-tert-butyltriazolidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 153429392
3-[(3S)-3-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 26402578
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
(1-ethylpyrrol-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240558
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 103805714) is 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is CC(C)NCC1CCCN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is WOOLBAVFOFPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)15-8-11-4-3-7-18(9-11)14(20)12-5-6-13(19)17-16-12/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 103805714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).