N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide

C13H20N4O3S — CID 51084629

IUPACN-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H20N4O3S/c1-11-3-4-12(9-14-11)10-15-13(18)16-5-7-17(8-6-16)21(2,19)20/h3-4,9H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyAQVPPPGOIUYNIU-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.18
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide (PubChem CID 51084629) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
PubChem CID51084629
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C13H20N4O3S/c1-11-3-4-12(9-14-11)10-15-13(18)16-5-7-17(8-6-16)21(2,19)20/h3-4,9H,5-8,10H2,1-2H3,(H,15,18)
InChIKeyAQVPPPGOIUYNIU-UHFFFAOYSA-N
XLogP0.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 30886387
N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 96549815
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
N-[(1-benzylpyrazol-4-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 87007514
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 41191853
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 55629608
4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 41191852
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide (CID 51084629) is N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide?
The InChIKey is AQVPPPGOIUYNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-11-3-4-12(9-14-11)10-15-13(18)16-5-7-17(8-6-16)21(2,19)20/h3-4,9H,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 51084629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).