N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide

C16H26N4O4S — CID 91916236

IUPACN-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCn1cc(C(=O)N2CCC(N(C3CCOCC3)S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)20(25(2,22)23)15-5-9-24-10-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHAGVVINPGAPINI-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.47
Rot. Bonds4

About N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide

N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide (PubChem CID 91916236) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
PubChem CID91916236
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide
SMILESCn1cc(C(=O)N2CCC(N(C3CCOCC3)S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)20(25(2,22)23)15-5-9-24-10-6-15/h11-12,14-15H,3-10H2,1-2H3
InChIKeyHAGVVINPGAPINI-UHFFFAOYSA-N
XLogP0.47
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide 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

[4-(1-Methylpiperidin-4-yl)oxypiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916385
(1-methyl-1H-pyrazol-4-yl)(4-{[1-(methylsulfonyl)-4-piperidyl]oxy}piperidino)methanone
CID 91916389
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916235
N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
CID 176629560
N-[3-(1-iodopiperidin-4-yl)oxypropyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 176933003
N-[[1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073355
1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808870
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)pyrazole-4-carboxamide
CID 47909450
(1-Methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305547
1-ethyl-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-1H-pyrazole-4-carboxamide
CID 56906405
4-(2-{1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-2-piperidinyl}ethyl)morpholine
CID 70715707
N-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl}methanesulfonamide
CID 70780426

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide (CID 91916236) is N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide is Cn1cc(C(=O)N2CCC(N(C3CCOCC3)S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is HAGVVINPGAPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-18-12-13(11-17-18)16(21)19-7-3-14(4-8-19)20(25(2,22)23)15-5-9-24-10-6-15/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide?
N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 91916236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).