[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

C27H31N3O4S — CID 26534447

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1
InChIInChI=1S/C27H31N3O4S/c1-34-26-9-5-4-8-25(26)28-16-18-29(19-17-28)27(31)22-12-14-30(15-13-22)35(32,33)24-11-10-21-6-2-3-7-23(21)20-24/h2-11,20,22H,12-19H2,1H3
InChIKeyRTYHLIQVKXKYBU-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.60
Rot. Bonds5

About [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 26534447) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID26534447
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1
InChIInChI=1S/C27H31N3O4S/c1-34-26-9-5-4-8-25(26)28-16-18-29(19-17-28)27(31)22-12-14-30(15-13-22)35(32,33)24-11-10-21-6-2-3-7-23(21)20-24/h2-11,20,22H,12-19H2,1H3
InChIKeyRTYHLIQVKXKYBU-UHFFFAOYSA-N
XLogP3.60
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26687371
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55955194
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
CID 22583482
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (CID 26534447) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is RTYHLIQVKXKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-34-26-9-5-4-8-25(26)28-16-18-29(19-17-28)27(31)22-12-14-30(15-13-22)35(32,33)24-11-10-21-6-2-3-7-23(21)20-24/h2-11,20,22H,12-19H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 493.63 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 26534447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).