(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone

C28H26N2O — CID 1343328

IUPAC(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26N2O/c31-28(26-16-15-22-9-7-8-14-25(22)21-26)30-19-17-29(18-20-30)27(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-16,21,27H,17-20H2
InChIKeyMHPUDOKXQMVAEI-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.39
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone

(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone (PubChem CID 1343328) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
PubChem CID1343328
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26N2O/c31-28(26-16-15-22-9-7-8-14-25(22)21-26)30-19-17-29(18-20-30)27(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-16,21,27H,17-20H2
InChIKeyMHPUDOKXQMVAEI-UHFFFAOYSA-N
XLogP5.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(4-benzhydrylpiperazin-1-yl)-[3-(2-phenylethynyl)phenyl]methanone
CID 2872605
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 10527563
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone (CID 1343328) is (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is MHPUDOKXQMVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c31-28(26-16-15-22-9-7-8-14-25(22)21-26)30-19-17-29(18-20-30)27(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-16,21,27H,17-20H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 406.53 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 1343328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).