4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

C19H29N5O2 — CID 56900947

IUPAC4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(CC2CCCCC2)C1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H29N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h11,14,17H,1-10,12-13H2,(H,20,26)(H,21,22)
InChIKeyFCDFMWCBKRVCDM-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.07
Rot. Bonds4

About 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (PubChem CID 56900947) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
PubChem CID56900947
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(CC2CCCCC2)C1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H29N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h11,14,17H,1-10,12-13H2,(H,20,26)(H,21,22)
InChIKeyFCDFMWCBKRVCDM-UHFFFAOYSA-N
XLogP1.07
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (CID 56900947) is 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is O=C1NCCN(CC2CCCCC2)C1CC(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The InChIKey is FCDFMWCBKRVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h11,14,17H,1-10,12-13H2,(H,20,26)(H,21,22).
What are the key properties of 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 56900947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).