1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C24H30ClN5O3 — CID 91889698

IUPAC1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H30ClN5O3/c25-18-6-4-17(5-7-18)21-15-30-19(16-33-21)14-20(27-30)22(31)28-12-8-24(9-13-28,23(26)32)29-10-2-1-3-11-29/h4-7,14,21H,1-3,8-13,15-16H2,(H2,26,32)
InChIKeyNEQXDROINVPUHX-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.75
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 91889698) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID91889698
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H30ClN5O3/c25-18-6-4-17(5-7-18)21-15-30-19(16-33-21)14-20(27-30)22(31)28-12-8-24(9-13-28,23(26)32)29-10-2-1-3-11-29/h4-7,14,21H,1-3,8-13,15-16H2,(H2,26,32)
InChIKeyNEQXDROINVPUHX-UHFFFAOYSA-N
XLogP2.75
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 91889698) is 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is NEQXDROINVPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c25-18-6-4-17(5-7-18)21-15-30-19(16-33-21)14-20(27-30)22(31)28-12-8-24(9-13-28,23(26)32)29-10-2-1-3-11-29/h4-7,14,21H,1-3,8-13,15-16H2,(H2,26,32).
What are the key properties of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 471.99 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91889698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).