N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C16H27N5O3S — CID 47813826

IUPACN-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H27N5O3S/c1-2-19-13-15(12-17-19)18-16(22)14-6-10-21(11-7-14)25(23,24)20-8-4-3-5-9-20/h12-14H,2-11H2,1H3,(H,18,22)
InChIKeyAOONGKZPSPIOHQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.28
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 47813826) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID47813826
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H27N5O3S/c1-2-19-13-15(12-17-19)18-16(22)14-6-10-21(11-7-14)25(23,24)20-8-4-3-5-9-20/h12-14H,2-11H2,1H3,(H,18,22)
InChIKeyAOONGKZPSPIOHQ-UHFFFAOYSA-N
XLogP1.28
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 47813826) is N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AOONGKZPSPIOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-2-19-13-15(12-17-19)18-16(22)14-6-10-21(11-7-14)25(23,24)20-8-4-3-5-9-20/h12-14H,2-11H2,1H3,(H,18,22).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47813826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).