3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C18H27N5O3 — CID 70743088

IUPAC3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cc2n(n1)CCCNC2)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H27N5O3/c24-17(3-2-14-12-16-13-19-6-1-7-23(16)20-14)21-8-4-15(5-9-21)22-10-11-26-18(22)25/h12,15,19H,1-11,13H2
InChIKeyRVISWUBAUFWMJL-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.75
Rot. Bonds4

About 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 70743088) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID70743088
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(CCc1cc2n(n1)CCCNC2)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C18H27N5O3/c24-17(3-2-14-12-16-13-19-6-1-7-23(16)20-14)21-8-4-15(5-9-21)22-10-11-26-18(22)25/h12,15,19H,1-11,13H2
InChIKeyRVISWUBAUFWMJL-UHFFFAOYSA-N
XLogP0.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 70743088) is 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(CCc1cc2n(n1)CCCNC2)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RVISWUBAUFWMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(3-2-14-12-16-13-19-6-1-7-23(16)20-14)21-8-4-15(5-9-21)22-10-11-26-18(22)25/h12,15,19H,1-11,13H2.
What are the key properties of 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70743088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).