N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

C16H24N4O4S — CID 95342000

IUPACN-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C16H24N4O4S/c1-25(22,23)15-5-4-13(11-17-15)18-16(21)20-8-6-19(7-9-20)12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyYKANKVLBPCVSBO-CQSZACIVSA-N
MW368.46 g/mol
LogP0.81
Rot. Bonds4

About N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide

N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 95342000) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
PubChem CID95342000
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C16H24N4O4S/c1-25(22,23)15-5-4-13(11-17-15)18-16(21)20-8-6-19(7-9-20)12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyYKANKVLBPCVSBO-CQSZACIVSA-N
XLogP0.81
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
N-(4-ethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336905
N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336884
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993
N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336889
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide (CID 95342000) is N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1.
What is the InChIKey of N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is YKANKVLBPCVSBO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-25(22,23)15-5-4-13(11-17-15)18-16(21)20-8-6-19(7-9-20)12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95342000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).