1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C19H28N2O2 — CID 99970758

IUPAC1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2
InChIInChI=1S/C19H28N2O2/c1-13-5-6-17-15(11-13)16(12-19(2,3)23-17)20-18(22)14-7-9-21(4)10-8-14/h5-6,11,14,16H,7-10,12H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyXAGHBHCOEILLCN-MRXNPFEDSA-N
MW316.44 g/mol
LogP3.06
Rot. Bonds2

About 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 99970758) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
PubChem CID99970758
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2
InChIInChI=1S/C19H28N2O2/c1-13-5-6-17-15(11-13)16(12-19(2,3)23-17)20-18(22)14-7-9-21(4)10-8-14/h5-6,11,14,16H,7-10,12H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyXAGHBHCOEILLCN-MRXNPFEDSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.06
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-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656849
1-(4-methoxyphenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167702
(3S)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95196409
1-(dimethylsulfamoyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 53278094
1-(4-methylphenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167095
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100671166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 99970758) is 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(C)CC1)CC(C)(C)O2.
What is the InChIKey of 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
The InChIKey is XAGHBHCOEILLCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-5-6-17-15(11-13)16(12-19(2,3)23-17)20-18(22)14-7-9-21(4)10-8-14/h5-6,11,14,16H,7-10,12H2,1-4H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 99970758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).