N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C26H34N2O3 — CID 94013869

IUPACN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2
InChIInChI=1S/C26H34N2O3/c1-18-6-5-7-19(14-18)17-28-12-10-20(11-13-28)25(29)27-23-16-26(2,3)31-24-9-8-21(30-4)15-22(23)24/h5-9,14-15,20,23H,10-13,16-17H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyFAQZFZKJNWJWDB-QHCPKHFHSA-N
MW422.57 g/mol
LogP4.63
Rot. Bonds5

About N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94013869) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID94013869
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2
InChIInChI=1S/C26H34N2O3/c1-18-6-5-7-19(14-18)17-28-12-10-20(11-13-28)25(29)27-23-16-26(2,3)31-24-9-8-21(30-4)15-22(23)24/h5-9,14-15,20,23H,10-13,16-17H2,1-4H3,(H,27,29)/t23-/m0/s1
InChIKeyFAQZFZKJNWJWDB-QHCPKHFHSA-N
XLogP4.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
1-benzyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 46766192
1-benzyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013766
1-benzyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013767
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926904
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926822
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-[(2-chlorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013914
1-[(4-chlorophenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013829
1-[(2-fluorophenyl)methyl]-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013919
1-[(2-fluorophenyl)methyl]-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013920
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

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 94013869) is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2.
What is the InChIKey of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FAQZFZKJNWJWDB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18-6-5-7-19(14-18)17-28-12-10-20(11-13-28)25(29)27-23-16-26(2,3)31-24-9-8-21(30-4)15-22(23)24/h5-9,14-15,20,23H,10-13,16-17H2,1-4H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94013869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).