piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C16H24N4O — CID 60940276

IUPACpiperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-2,5,7,14,17H,3-4,6,8-13H2
InChIKeyJVFOSOKVPZZOBY-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.73
Rot. Bonds3

About piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60940276) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60940276
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namepiperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCNC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H24N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-2,5,7,14,17H,3-4,6,8-13H2
InChIKeyJVFOSOKVPZZOBY-UHFFFAOYSA-N
XLogP0.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
(1,1-dioxothiolan-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56809428
[(3S)-1,1-dioxothiolan-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94474525
(1-cyclopropylsulfonylazetidin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90513536
[(1S,2S)-2-aminocyclopentyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 124510940
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119832310
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357857
[1-(oxan-4-yl)piperidin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 118771316
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 60937005
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 60940276) is piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(C1CCCNC1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JVFOSOKVPZZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-2,5,7,14,17H,3-4,6,8-13H2.
What are the key properties of piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60940276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).