N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide

C17H24N2O2 — CID 119331752

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCNCC2)c2ccccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)11-14(13-5-3-4-6-15(13)21-17)19-16(20)12-7-9-18-10-8-12/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyPEDSYSSDIMABDK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide (PubChem CID 119331752) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
PubChem CID119331752
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCNCC2)c2ccccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)11-14(13-5-3-4-6-15(13)21-17)19-16(20)12-7-9-18-10-8-12/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyPEDSYSSDIMABDK-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 124595063
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 99713730
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652563
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
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
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99588781
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042763
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656440

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide (CID 119331752) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide is CC1(C)CC(NC(=O)C2CCNCC2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
The InChIKey is PEDSYSSDIMABDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)11-14(13-5-3-4-6-15(13)21-17)19-16(20)12-7-9-18-10-8-12/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 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)piperidine-4-carboxamide is sourced from PubChem (CID 119331752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).