piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

C15H23N5O — CID 119879720

IUPACpiperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H23N5O/c21-15(12-3-1-7-16-11-12)20-9-5-13(6-10-20)18-14-4-2-8-17-19-14/h2,4,8,12-13,16H,1,3,5-7,9-11H2,(H,18,19)
InChIKeyPYSTXHWEVMORCV-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.88
Rot. Bonds3

About piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (PubChem CID 119879720) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
PubChem CID119879720
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Namepiperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C15H23N5O/c21-15(12-3-1-7-16-11-12)20-9-5-13(6-10-20)18-14-4-2-8-17-19-14/h2,4,8,12-13,16H,1,3,5-7,9-11H2,(H,18,19)
InChIKeyPYSTXHWEVMORCV-UHFFFAOYSA-N
XLogP0.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
N-pyridazin-3-ylazepan-4-amine
CID 107173783
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317
(4,4-difluoropyrrolidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone;hydrochloride
CID 120954788
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119890597
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119898008
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
N-cyclopentylpyridazin-3-amine
CID 62482227
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The IUPAC name of piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone (CID 119879720) is piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is O=C(C1CCCNC1)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
The InChIKey is PYSTXHWEVMORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c21-15(12-3-1-7-16-11-12)20-9-5-13(6-10-20)18-14-4-2-8-17-19-14/h2,4,8,12-13,16H,1,3,5-7,9-11H2,(H,18,19).
What are the key properties of piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone?
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).