[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C32H32N4O2 — CID 59625930

IUPAC[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(NCc4ccc5ccccc5c4)cc3)C2)CC1
InChIInChI=1S/C32H32N4O2/c37-31(26-7-2-1-3-8-26)35-18-16-34(17-19-35)30-22-36(23-30)32(38)27-12-14-29(15-13-27)33-21-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30,33H,16-19,21-23H2
InChIKeyCWOBKLIIUJOZEM-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.73
Rot. Bonds6

About [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 59625930) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID59625930
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC Name[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(NCc4ccc5ccccc5c4)cc3)C2)CC1
InChIInChI=1S/C32H32N4O2/c37-31(26-7-2-1-3-8-26)35-18-16-34(17-19-35)30-22-36(23-30)32(38)27-12-14-29(15-13-27)33-21-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30,33H,16-19,21-23H2
InChIKeyCWOBKLIIUJOZEM-UHFFFAOYSA-N
XLogP4.73
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
CID 59625912
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-[4-(pyridin-4-ylmethylamino)phenyl]methanone
CID 95132460
(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
CID 166360675
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
[4-(anilinomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10476655
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 59625930) is [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(NCc4ccc5ccccc5c4)cc3)C2)CC1.
What is the InChIKey of [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is CWOBKLIIUJOZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c37-31(26-7-2-1-3-8-26)35-18-16-34(17-19-35)30-22-36(23-30)32(38)27-12-14-29(15-13-27)33-21-24-10-11-25-6-4-5-9-28(25)20-24/h1-15,20,30,33H,16-19,21-23H2.
What are the key properties of [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 504.63 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 59625930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).