(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide

C16H22F2N2O4 — CID 95329456

IUPAC(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@H](OC)C2)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-22-12-4-3-7-20(10-12)16(21)19-9-11-5-6-13(24-15(17)18)14(8-11)23-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyLGNBCDRLCSZAAU-LBPRGKRZSA-N
MW344.36 g/mol
LogP2.62
Rot. Bonds6

About (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide

(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide (PubChem CID 95329456) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
PubChem CID95329456
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@H](OC)C2)ccc1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-22-12-4-3-7-20(10-12)16(21)19-9-11-5-6-13(24-15(17)18)14(8-11)23-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyLGNBCDRLCSZAAU-LBPRGKRZSA-N
XLogP2.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide with MolForge

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
ethyl 1-[N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993108
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
1-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-1,4-dicarboxamide
CID 47065802

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide (CID 95329456) is (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide is COc1cc(CNC(=O)N2CCC[C@H](OC)C2)ccc1OC(F)F.
What is the InChIKey of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide?
The InChIKey is LGNBCDRLCSZAAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-22-12-4-3-7-20(10-12)16(21)19-9-11-5-6-13(24-15(17)18)14(8-11)23-2/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide?
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 95329456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).