N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C19H29N3O5S — CID 3238549

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H29N3O5S/c1-26-17-5-6-18(27-2)16(13-17)14-20-19(23)15-7-11-22(12-8-15)28(24,25)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,23)
InChIKeyVARACRRNTYGWLU-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.37
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3238549) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3238549
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C19H29N3O5S/c1-26-17-5-6-18(27-2)16(13-17)14-20-19(23)15-7-11-22(12-8-15)28(24,25)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,23)
InChIKeyVARACRRNTYGWLU-UHFFFAOYSA-N
XLogP1.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3238549) is N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is VARACRRNTYGWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-26-17-5-6-18(27-2)16(13-17)14-20-19(23)15-7-11-22(12-8-15)28(24,25)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3238549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).