[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

C26H30N4O4S — CID 22721908

IUPAC[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1CO
InChIInChI=1S/C26H30N4O4S/c31-19-24-18-29(35(33,34)25-6-5-20-3-1-2-4-22(20)17-25)15-16-30(24)26(32)21-9-13-28(14-10-21)23-7-11-27-12-8-23/h1-8,11-12,17,21,24,31H,9-10,13-16,18-19H2
InChIKeyZDCGUDAISNXAMB-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.35
Rot. Bonds5

About [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 22721908) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID22721908
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1CO
InChIInChI=1S/C26H30N4O4S/c31-19-24-18-29(35(33,34)25-6-5-20-3-1-2-4-22(20)17-25)15-16-30(24)26(32)21-9-13-28(14-10-21)23-7-11-27-12-8-23/h1-8,11-12,17,21,24,31H,9-10,13-16,18-19H2
InChIKeyZDCGUDAISNXAMB-UHFFFAOYSA-N
XLogP2.35
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-bromonaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperazine-2-carboxylic acid
CID 11114582
[4-(6-bromonaphthalen-2-yl)sulfonyl-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 57099771
4-(6-chloronaphthalen-2-yl)sulfonyl-6-(hydroxymethyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one
CID 10940382
1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine
CID 68603377
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 124504662
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-(1,3-oxazol-2-yl)methanone
CID 23725195
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (CID 22721908) is [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1CO.
What is the InChIKey of [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is ZDCGUDAISNXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c31-19-24-18-29(35(33,34)25-6-5-20-3-1-2-4-22(20)17-25)15-16-30(24)26(32)21-9-13-28(14-10-21)23-7-11-27-12-8-23/h1-8,11-12,17,21,24,31H,9-10,13-16,18-19H2.
What are the key properties of [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
[2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 494.62 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-4-naphthalen-2-ylsulfonylpiperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 22721908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).