1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C26H31N3O3 — CID 22521198

IUPAC1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCC1CN(C(=O)N2CCC(C(=O)NC3CCCc4ccccc43)CC2)c2ccccc2O1
InChIInChI=1S/C26H31N3O3/c1-18-17-29(23-11-4-5-12-24(23)32-18)26(31)28-15-13-20(14-16-28)25(30)27-22-10-6-8-19-7-2-3-9-21(19)22/h2-5,7,9,11-12,18,20,22H,6,8,10,13-17H2,1H3,(H,27,30)
InChIKeyCMMTZXPNHYNPLO-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.30
Rot. Bonds2

About 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (PubChem CID 22521198) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
PubChem CID22521198
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
SMILESCC1CN(C(=O)N2CCC(C(=O)NC3CCCc4ccccc43)CC2)c2ccccc2O1
InChIInChI=1S/C26H31N3O3/c1-18-17-29(23-11-4-5-12-24(23)32-18)26(31)28-15-13-20(14-16-28)25(30)27-22-10-6-8-19-7-2-3-9-21(19)22/h2-5,7,9,11-12,18,20,22H,6,8,10,13-17H2,1H3,(H,27,30)
InChIKeyCMMTZXPNHYNPLO-UHFFFAOYSA-N
XLogP4.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-[(2R)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]piperidine-4-carboxamide
CID 92682446
[1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 22521172
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-(4-methylbenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 131896030
(2S)-5-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 125042920
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-butanoyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-4-carboxamide
CID 95287998
(2S,3R)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51729980
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40968803

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide (CID 22521198) is 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is CC1CN(C(=O)N2CCC(C(=O)NC3CCCc4ccccc43)CC2)c2ccccc2O1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
The InChIKey is CMMTZXPNHYNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-17-29(23-11-4-5-12-24(23)32-18)26(31)28-15-13-20(14-16-28)25(30)27-22-10-6-8-19-7-2-3-9-21(19)22/h2-5,7,9,11-12,18,20,22H,6,8,10,13-17H2,1H3,(H,27,30).
What are the key properties of 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide?
1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 22521198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).