N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

C18H28N4O3S — CID 134700952

IUPACN-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H28N4O3S/c23-18(20-17-5-9-19-22(17)15-3-1-2-4-15)14-6-10-21(11-7-14)16-8-12-26(24,25)13-16/h5,9,14-16H,1-4,6-8,10-13H2,(H,20,23)
InChIKeyVWQZVPOJHMSNEJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.84
Rot. Bonds4

About N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (PubChem CID 134700952) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
PubChem CID134700952
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)C1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H28N4O3S/c23-18(20-17-5-9-19-22(17)15-3-1-2-4-15)14-6-10-21(11-7-14)16-8-12-26(24,25)13-16/h5,9,14-16H,1-4,6-8,10-13H2,(H,20,23)
InChIKeyVWQZVPOJHMSNEJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (CID 134700952) is N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is O=C(Nc1ccnn1C1CCCC1)C1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is VWQZVPOJHMSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c23-18(20-17-5-9-19-22(17)15-3-1-2-4-15)14-6-10-21(11-7-14)16-8-12-26(24,25)13-16/h5,9,14-16H,1-4,6-8,10-13H2,(H,20,23).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134700952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).