N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide

C11H18N4O3S — CID 47268138

IUPACN-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-12-11(16)9-3-5-15(6-4-9)19(17,18)10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyMIABZJZQPFDPKJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.05
Rot. Bonds4

About N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide

N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 47268138) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide
PubChem CID47268138
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-12-11(16)9-3-5-15(6-4-9)19(17,18)10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyMIABZJZQPFDPKJ-UHFFFAOYSA-N
XLogP-0.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide (CID 47268138) is N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is MIABZJZQPFDPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-12-11(16)9-3-5-15(6-4-9)19(17,18)10-7-13-14-8-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14).
What are the key properties of N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide?
N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 47268138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).