(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone

C23H29N3O4S — CID 28631992

IUPAC(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(25-12-10-24(11-13-25)18-20-4-2-1-3-5-20)22-8-6-21(7-9-22)19-31(28,29)26-14-16-30-17-15-26/h1-9H,10-19H2
InChIKeyNHFWEUNHIHMQQF-UHFFFAOYSA-N
MW443.57 g/mol
LogP1.81
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone (PubChem CID 28631992) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
PubChem CID28631992
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c27-23(25-12-10-24(11-13-25)18-20-4-2-1-3-5-20)22-8-6-21(7-9-22)19-31(28,29)26-14-16-30-17-15-26/h1-9H,10-19H2
InChIKeyNHFWEUNHIHMQQF-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 46763499
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
(4-ethylpiperazin-1-yl)-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanone
CID 28637058
(4-benzylsulfonylpiperazin-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 110805281
(4-benzylsulfonylpiperazin-1-yl)-[4-(diethylamino)phenyl]methanone
CID 9153899
ethyl 1-[4-(morpholin-4-ylsulfonylmethyl)benzoyl]piperidine-4-carboxylate
CID 92671777
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone (CID 28631992) is (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone is O=C(c1ccc(CS(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is NHFWEUNHIHMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-23(25-12-10-24(11-13-25)18-20-4-2-1-3-5-20)22-8-6-21(7-9-22)19-31(28,29)26-14-16-30-17-15-26/h1-9H,10-19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 443.57 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 28631992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).