[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone

C21H25NO3S — CID 121479022

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone
SMILESCS(=O)(=O)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C21H25NO3S/c1-26(24,25)20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15/h6-9,11-12,15,19H,2-5,10,13-14H2,1H3
InChIKeySAAYWBMVGRCLDD-UHFFFAOYSA-N
MW371.50 g/mol
LogP3.55
Rot. Bonds5

About [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone (PubChem CID 121479022) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone
PubChem CID121479022
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone
SMILESCS(=O)(=O)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1
InChIInChI=1S/C21H25NO3S/c1-26(24,25)20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15/h6-9,11-12,15,19H,2-5,10,13-14H2,1H3
InChIKeySAAYWBMVGRCLDD-UHFFFAOYSA-N
XLogP3.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone (CID 121479022) is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone is CS(=O)(=O)c1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone?
The InChIKey is SAAYWBMVGRCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-26(24,25)20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15/h6-9,11-12,15,19H,2-5,10,13-14H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone has a molecular weight of 371.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone is sourced from PubChem (CID 121479022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).