N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C18H27N3O3S — CID 26052656

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H27N3O3S/c1-14-13-16(20-9-3-4-10-20)5-6-17(14)19-18(22)15-7-11-21(12-8-15)25(2,23)24/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeySJEYZRNKHCQCPL-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.21
Rot. Bonds4

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 26052656) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID26052656
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H27N3O3S/c1-14-13-16(20-9-3-4-10-20)5-6-17(14)19-18(22)15-7-11-21(12-8-15)25(2,23)24/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeySJEYZRNKHCQCPL-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 55892029
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 26052656) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SJEYZRNKHCQCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-13-16(20-9-3-4-10-20)5-6-17(14)19-18(22)15-7-11-21(12-8-15)25(2,23)24/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26052656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).