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

C25H32N2O2 — CID 46775465

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NC3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-18-8-10-19(11-9-18)17-27-14-12-20(13-15-27)24(28)26-22-16-25(2,3)29-23-7-5-4-6-21(22)23/h4-11,20,22H,12-17H2,1-3H3,(H,26,28)
InChIKeyJUNJTDLZLGKMCA-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.63
Rot. Bonds4

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

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46775465) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID46775465
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)NC3CC(C)(C)Oc4ccccc43)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-18-8-10-19(11-9-18)17-27-14-12-20(13-15-27)24(28)26-22-16-25(2,3)29-23-7-5-4-6-21(22)23/h4-11,20,22H,12-17H2,1-3H3,(H,26,28)
InChIKeyJUNJTDLZLGKMCA-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-benzyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 46766192
1-[(4-chlorophenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013829
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
1-[(2-methylphenyl)methyl]-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94013819
1-[(4-chlorophenyl)methyl]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133187450
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013869
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766308
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927827
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 46775465) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)NC3CC(C)(C)Oc4ccccc43)CC2)cc1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JUNJTDLZLGKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-8-10-19(11-9-18)17-27-14-12-20(13-15-27)24(28)26-22-16-25(2,3)29-23-7-5-4-6-21(22)23/h4-11,20,22H,12-17H2,1-3H3,(H,26,28).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46775465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).