(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide

C18H26N2O2 — CID 99713730

IUPAC(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1
InChIInChI=1S/C18H26N2O2/c1-18(2)11-15(14-8-4-5-9-16(14)22-18)19-17(21)13-7-6-10-20(3)12-13/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyZFDSHOINQJETMO-DZGCQCFKSA-N
MW302.42 g/mol
LogP2.75
Rot. Bonds2

About (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide

(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide (PubChem CID 99713730) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
PubChem CID99713730
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1
InChIInChI=1S/C18H26N2O2/c1-18(2)11-15(14-8-4-5-9-16(14)22-18)19-17(21)13-7-6-10-20(3)12-13/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyZFDSHOINQJETMO-DZGCQCFKSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide
CID 124595063
(3R)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042763
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132670286
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 119331752
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652563
1-[(2,6-dichlorophenyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 94023331
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775465
(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95118604
1-methyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 99970758
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656440
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide (CID 99713730) is (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1.
What is the InChIKey of (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide?
The InChIKey is ZFDSHOINQJETMO-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)11-15(14-8-4-5-9-16(14)22-18)19-17(21)13-7-6-10-20(3)12-13/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3,(H,19,21)/t13-,15+/m0/s1.
What are the key properties of (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99713730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).