1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide

C21H32N4O4S — CID 94858116

IUPAC1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)C1
InChIInChI=1S/C21H32N4O4S/c1-16-5-4-12-25(15-16)30(28,29)19-8-6-18(7-9-19)22-20(26)17-10-13-24(14-11-17)21(27)23(2)3/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyBYVXOPCVLLLCOC-MRXNPFEDSA-N
MW436.58 g/mol
LogP2.44
Rot. Bonds4

About 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide (PubChem CID 94858116) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
PubChem CID94858116
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC Name1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)C1
InChIInChI=1S/C21H32N4O4S/c1-16-5-4-12-25(15-16)30(28,29)19-8-6-18(7-9-19)22-20(26)17-10-13-24(14-11-17)21(27)23(2)3/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m1/s1
InChIKeyBYVXOPCVLLLCOC-MRXNPFEDSA-N
XLogP2.44
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide
CID 40964085
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16547474
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide
CID 17311741
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-[4-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125072575
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224456

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide (CID 94858116) is 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide is C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)C1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide?
The InChIKey is BYVXOPCVLLLCOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-16-5-4-12-25(15-16)30(28,29)19-8-6-18(7-9-19)22-20(26)17-10-13-24(14-11-17)21(27)23(2)3/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide has a molecular weight of 436.58 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 94858116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).