(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

C16H25N3O3S — CID 22551944

IUPAC(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C16H25N3O3S/c1-13-5-9-18(10-6-13)16(20)15-11-14(12-17-15)23(21,22)19-7-3-2-4-8-19/h11-13,17H,2-10H2,1H3
InChIKeyJXOUSUPYRITTSI-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.06
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone

(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone (PubChem CID 22551944) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
PubChem CID22551944
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESCC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1
InChIInChI=1S/C16H25N3O3S/c1-13-5-9-18(10-6-13)16(20)15-11-14(12-17-15)23(21,22)19-7-3-2-4-8-19/h11-13,17H,2-10H2,1H3
InChIKeyJXOUSUPYRITTSI-UHFFFAOYSA-N
XLogP2.06
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone (CID 22551944) is (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone is CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The InChIKey is JXOUSUPYRITTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-5-9-18(10-6-13)16(20)15-11-14(12-17-15)23(21,22)19-7-3-2-4-8-19/h11-13,17H,2-10H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone?
(4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone has a molecular weight of 339.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(4-piperidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 22551944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).