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

C16H18N4O — CID 704367

IUPACpyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H18N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-7,12H,8-11,13H2
InChIKeySNPDJDPFCGEZFH-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.43
Rot. Bonds3

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

pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 704367) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID704367
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Namepyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H18N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-7,12H,8-11,13H2
InChIKeySNPDJDPFCGEZFH-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-yl-[8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155859302
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 780116
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 704367) is pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cccnc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SNPDJDPFCGEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(14-4-3-6-17-12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-7,12H,8-11,13H2.
What are the key properties of pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 282.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 704367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).