[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone

C28H27N3O — CID 91187389

IUPAC[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccc3ccccc3c2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H27N3O/c32-28(31-18-16-30(17-19-31)27-8-2-1-3-9-27)24-12-14-26(15-13-24)29-21-22-10-11-23-6-4-5-7-25(23)20-22/h1-15,20,29H,16-19,21H2
InChIKeyZJBAPMLCTMYQTN-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.41
Rot. Bonds5

About [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 91187389) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID91187389
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccc3ccccc3c2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H27N3O/c32-28(31-18-16-30(17-19-31)27-8-2-1-3-9-27)24-12-14-26(15-13-24)29-21-22-10-11-23-6-4-5-7-25(23)20-22/h1-15,20,29H,16-19,21H2
InChIKeyZJBAPMLCTMYQTN-UHFFFAOYSA-N
XLogP5.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625930
2-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399310
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891
[4-[(tert-butylamino)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 59768410
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
[4-(4-hydroxyphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2120761
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
CID 167174450
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-(benzylamino)-3-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579354
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 91187389) is [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(NCc2ccc3ccccc3c2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZJBAPMLCTMYQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c32-28(31-18-16-30(17-19-31)27-8-2-1-3-9-27)24-12-14-26(15-13-24)29-21-22-10-11-23-6-4-5-7-25(23)20-22/h1-15,20,29H,16-19,21H2.
What are the key properties of [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 421.54 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 91187389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).