[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C21H19N3O2 — CID 787271

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H19N3O2/c25-20(17-8-10-22-11-9-17)23-12-14-24(15-13-23)21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-15H2
InChIKeyHKERHMKZTCTRQB-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.83
Rot. Bonds2

About [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 787271) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID787271
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H19N3O2/c25-20(17-8-10-22-11-9-17)23-12-14-24(15-13-23)21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-15H2
InChIKeyHKERHMKZTCTRQB-UHFFFAOYSA-N
XLogP2.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 787271) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is HKERHMKZTCTRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(17-8-10-22-11-9-17)23-12-14-24(15-13-23)21(26)19-7-3-5-16-4-1-2-6-18(16)19/h1-11H,12-15H2.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 345.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 787271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).