methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate

C19H25FN2O3 — CID 99836421

IUPACmethyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1
InChIInChI=1S/C19H25FN2O3/c1-25-19(24)13-8-10-14(11-9-13)21-16-6-4-12-22(18(16)23)17-7-3-2-5-15(17)20/h2-3,5,7,13-14,16,21H,4,6,8-12H2,1H3/t13?,14?,16-/m1/s1
InChIKeyBULWSZYJWYPYPC-ZBCRRDGASA-N
MW348.42 g/mol
LogP2.64
Rot. Bonds4

About methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate

methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate (PubChem CID 99836421) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
PubChem CID99836421
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Namemethyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1
InChIInChI=1S/C19H25FN2O3/c1-25-19(24)13-8-10-14(11-9-13)21-16-6-4-12-22(18(16)23)17-7-3-2-5-15(17)20/h2-3,5,7,13-14,16,21H,4,6,8-12H2,1H3/t13?,14?,16-/m1/s1
InChIKeyBULWSZYJWYPYPC-ZBCRRDGASA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-4-oxobutanoate
CID 124589266
(3R)-1-(2-fluorophenyl)-3-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]amino]piperidin-2-one
CID 97333005
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
2-fluoro-N-[(3S)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-4-hydroxybenzamide
CID 99718154
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
N-[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75435103
3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 71921567
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
2-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]-6-methylbenzonitrile
CID 107801583
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate (CID 99836421) is methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1.
What is the InChIKey of methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate?
The InChIKey is BULWSZYJWYPYPC-ZBCRRDGASA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-25-19(24)13-8-10-14(11-9-13)21-16-6-4-12-22(18(16)23)17-7-3-2-5-15(17)20/h2-3,5,7,13-14,16,21H,4,6,8-12H2,1H3/t13?,14?,16-/m1/s1.
What are the key properties of methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate?
methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 99836421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).