N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride

C17H26ClN3O3S — CID 154895509

IUPACN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H
InChIKeyZMRSHIKXXHYEAD-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.34
Rot. Bonds4

About N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride

N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride (PubChem CID 154895509) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
PubChem CID154895509
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H
InChIKeyZMRSHIKXXHYEAD-UHFFFAOYSA-N
XLogP1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride (CID 154895509) is N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)NC1CCN(C(=O)c2ccccc2C2CCNC2)CC1.Cl.
What is the InChIKey of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZMRSHIKXXHYEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-24(22,23)19-14-7-10-20(11-8-14)17(21)16-5-3-2-4-15(16)13-6-9-18-12-13;/h2-5,13-14,18-19H,6-12H2,1H3;1H.
What are the key properties of N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride?
N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-3-ylbenzoyl)piperidin-4-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 154895509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).