N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide

C19H26N4O5S — CID 108559506

IUPACN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H26N4O5S/c1-12-18(13(2)22-21-12)29(25,26)23-10-8-14(9-11-23)20-19(24)17-15(27-3)6-5-7-16(17)28-4/h5-7,14H,8-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyJNFGXCIAUJIPFX-UHFFFAOYSA-N
MW422.51 g/mol
LogP1.63
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide (PubChem CID 108559506) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide
PubChem CID108559506
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C19H26N4O5S/c1-12-18(13(2)22-21-12)29(25,26)23-10-8-14(9-11-23)20-19(24)17-15(27-3)6-5-7-16(17)28-4/h5-7,14H,8-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyJNFGXCIAUJIPFX-UHFFFAOYSA-N
XLogP1.63
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110823345
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide
CID 108561912
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
CID 128551051
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
N-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
CID 63880352
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-phenoxypiperidine
CID 90025029
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721365
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561738
N-[(1S)-1-(3-bromophenyl)ethyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 97341579

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide (CID 108559506) is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
The InChIKey is JNFGXCIAUJIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-12-18(13(2)22-21-12)29(25,26)23-10-8-14(9-11-23)20-19(24)17-15(27-3)6-5-7-16(17)28-4/h5-7,14H,8-11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide?
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide has a molecular weight of 422.51 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 108559506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).