1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

C24H31ClN6O3 — CID 91889300

IUPAC1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(C(=O)c3nnn4c3COC(c3ccc(Cl)cc3)C4)CC2)CC1
InChIInChI=1S/C24H31ClN6O3/c1-29-10-8-19(9-11-29)26-23(32)17-6-12-30(13-7-17)24(33)22-20-15-34-21(14-31(20)28-27-22)16-2-4-18(25)5-3-16/h2-5,17,19,21H,6-15H2,1H3,(H,26,32)
InChIKeyNJACRVHMEVXKHO-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.27
Rot. Bonds4

About 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide

1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 91889300) has the molecular formula C24H31ClN6O3 and a molecular weight of 487.00 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID91889300
Molecular FormulaC24H31ClN6O3
Molecular Weight487.00 g/mol
Exact Mass486.21
IUPAC Name1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(C(=O)c3nnn4c3COC(c3ccc(Cl)cc3)C4)CC2)CC1
InChIInChI=1S/C24H31ClN6O3/c1-29-10-8-19(9-11-29)26-23(32)17-6-12-30(13-7-17)24(33)22-20-15-34-21(14-31(20)28-27-22)16-2-4-18(25)5-3-16/h2-5,17,19,21H,6-15H2,1H3,(H,26,32)
InChIKeyNJACRVHMEVXKHO-UHFFFAOYSA-N
XLogP2.27
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-pyrrolidin-1-ylmethanone
CID 91890722
ethyl 4-[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazine-1-carboxylate
CID 125127304
[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 87053621
6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893831
N-(cyclopropylmethyl)-1-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053719
1-[(6R)-6-(4-bromophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 125127598
[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 125127323
N-(3-fluoro-4-methylphenyl)-1-[6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053786
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128968
N-[(2,4-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 91889287
1-[6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 91889301
1-[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 87053626

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide (CID 91889300) is 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(C(=O)c3nnn4c3COC(c3ccc(Cl)cc3)C4)CC2)CC1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is NJACRVHMEVXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O3/c1-29-10-8-19(9-11-29)26-23(32)17-6-12-30(13-7-17)24(33)22-20-15-34-21(14-31(20)28-27-22)16-2-4-18(25)5-3-16/h2-5,17,19,21H,6-15H2,1H3,(H,26,32).
What are the key properties of 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide?
1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91889300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).