[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone

C22H20N2O2 — CID 1074720

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H20N2O2/c25-21(18-8-2-1-3-9-18)23-13-15-24(16-14-23)22(26)20-12-6-10-17-7-4-5-11-19(17)20/h1-12H,13-16H2
InChIKeyNEJYVPPSHHBOEN-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.44
Rot. Bonds2

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

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 1074720) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID1074720
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H20N2O2/c25-21(18-8-2-1-3-9-18)23-13-15-24(16-14-23)22(26)20-12-6-10-17-7-4-5-11-19(17)20/h1-12H,13-16H2
InChIKeyNEJYVPPSHHBOEN-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone (CID 1074720) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is NEJYVPPSHHBOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(18-8-2-1-3-9-18)23-13-15-24(16-14-23)22(26)20-12-6-10-17-7-4-5-11-19(17)20/h1-12H,13-16H2.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 344.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 1074720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).