4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide

C15H20N4O3 — CID 167928986

IUPAC4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc2c(cn1)OCCO2)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H20N4O3/c20-15(19-5-3-18(4-6-19)11-1-2-11)17-14-9-12-13(10-16-14)22-8-7-21-12/h9-11H,1-8H2,(H,16,17,20)
InChIKeyPNFBEZFUFCDMQN-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.16
Rot. Bonds2

About 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide

4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide (PubChem CID 167928986) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide
PubChem CID167928986
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc2c(cn1)OCCO2)N1CCN(C2CC2)CC1
InChIInChI=1S/C15H20N4O3/c20-15(19-5-3-18(4-6-19)11-1-2-11)17-14-9-12-13(10-16-14)22-8-7-21-12/h9-11H,1-8H2,(H,16,17,20)
InChIKeyPNFBEZFUFCDMQN-UHFFFAOYSA-N
XLogP1.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide (CID 167928986) is 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide is O=C(Nc1cc2c(cn1)OCCO2)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide?
The InChIKey is PNFBEZFUFCDMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15(19-5-3-18(4-6-19)11-1-2-11)17-14-9-12-13(10-16-14)22-8-7-21-12/h9-11H,1-8H2,(H,16,17,20).
What are the key properties of 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide?
4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).