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

C17H24N2O2 — CID 119331744

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCCN2)c2ccccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)19-16(20)13-8-5-6-10-18-13/h3-4,7,9,13-14,18H,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyUDAOBOKUEPMTNE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.55
Rot. Bonds2

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

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide (PubChem CID 119331744) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
PubChem CID119331744
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2CCCCN2)c2ccccc2O1
InChIInChI=1S/C17H24N2O2/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)19-16(20)13-8-5-6-10-18-13/h3-4,7,9,13-14,18H,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyUDAOBOKUEPMTNE-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 119331752
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 99713730
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
CID 104913159
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042763
(2S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 94023409
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
CID 119341941
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide (CID 119331744) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide is CC1(C)CC(NC(=O)C2CCCCN2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide?
The InChIKey is UDAOBOKUEPMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)19-16(20)13-8-5-6-10-18-13/h3-4,7,9,13-14,18H,5-6,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.55, 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-2-carboxamide is sourced from PubChem (CID 119331744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).