1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C25H31FN2O3 — CID 94013920

IUPAC1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H31FN2O3/c1-25(2)15-22(20-9-8-19(30-3)14-23(20)31-25)27-24(29)17-10-12-28(13-11-17)16-18-6-4-5-7-21(18)26/h4-9,14,17,22H,10-13,15-16H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyOEGUJAUNBOJZNL-JOCHJYFZSA-N
MW426.53 g/mol
LogP4.46
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 94013920) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
PubChem CID94013920
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C25H31FN2O3/c1-25(2)15-22(20-9-8-19(30-3)14-23(20)31-25)27-24(29)17-10-12-28(13-11-17)16-18-6-4-5-7-21(18)26/h4-9,14,17,22H,10-13,15-16H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyOEGUJAUNBOJZNL-JOCHJYFZSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013919
1-[(2-chlorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013914
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926743
1-ethylsulfonyl-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 132663641
1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013819
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926987
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013869
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926905
1-(benzenesulfonyl)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646285
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 94013920) is 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The InChIKey is OEGUJAUNBOJZNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-25(2)15-22(20-9-8-19(30-3)14-23(20)31-25)27-24(29)17-10-12-28(13-11-17)16-18-6-4-5-7-21(18)26/h4-9,14,17,22H,10-13,15-16H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94013920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).