N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

C23H24FN3O3 — CID 139004112

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCOc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O3/c24-17-5-6-19-21(13-17)30-26-22(19)15-7-10-27(11-8-15)23(28)25-14-16-9-12-29-20-4-2-1-3-18(16)20/h1-6,13,15-16H,7-12,14H2,(H,25,28)
InChIKeyXEQIIEBGBKSFHL-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.42
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (PubChem CID 139004112) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
PubChem CID139004112
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCOc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C23H24FN3O3/c24-17-5-6-19-21(13-17)30-26-22(19)15-7-10-27(11-8-15)23(28)25-14-16-9-12-29-20-4-2-1-3-18(16)20/h1-6,13,15-16H,7-12,14H2,(H,25,28)
InChIKeyXEQIIEBGBKSFHL-UHFFFAOYSA-N
XLogP4.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 45495525
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
1-(2-bromophenyl)-3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]thiourea
CID 71575169
N-(4-chlorophenyl)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidine-1-carboxamide
CID 127040790
4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 127040486
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
CID 46972664
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 66549068
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] N-butylcarbamate
CID 67591930
(3R)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92581702

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide (CID 139004112) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is O=C(NCC1CCOc2ccccc21)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
The InChIKey is XEQIIEBGBKSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c24-17-5-6-19-21(13-17)30-26-22(19)15-7-10-27(11-8-15)23(28)25-14-16-9-12-29-20-4-2-1-3-18(16)20/h1-6,13,15-16H,7-12,14H2,(H,25,28).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 139004112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).