(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide

C17H26N2O2 — CID 104913159

IUPAC(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C17H26N2O2/c1-11-8-12-14(9-17(2,3)10-15(12)21-11)19-16(20)13-6-4-5-7-18-13/h8,13-14,18H,4-7,9-10H2,1-3H3,(H,19,20)/t13-,14?/m1/s1
InChIKeyDCYMDTZBIHQYCQ-KWCCSABGSA-N
MW290.41 g/mol
LogP2.86
Rot. Bonds2

About (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide

(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide (PubChem CID 104913159) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
PubChem CID104913159
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)[C@H]1CCCCN1
InChIInChI=1S/C17H26N2O2/c1-11-8-12-14(9-17(2,3)10-15(12)21-11)19-16(20)13-6-4-5-7-18-13/h8,13-14,18H,4-7,9-10H2,1-3H3,(H,19,20)/t13-,14?/m1/s1
InChIKeyDCYMDTZBIHQYCQ-KWCCSABGSA-N
XLogP2.86
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide with MolForge

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Related Compounds

(5R)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-4,5,6,7-tetrahydro-2H-benzotriazole-5-carboxamide
CID 124877407
(E)-3-cyclopropyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]but-2-enamide
CID 97456167
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
2-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569405
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43713733
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
N-(2-methoxycyclohexyl)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43788980
(2S)-N-(2-ethyl-2-methylcyclopropyl)pyrrolidine-2-carboxamide
CID 131000663
3-nitro-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]benzamide
CID 95976044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide (CID 104913159) is (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide?
The InChIKey is DCYMDTZBIHQYCQ-KWCCSABGSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-8-12-14(9-17(2,3)10-15(12)21-11)19-16(20)13-6-4-5-7-18-13/h8,13-14,18H,4-7,9-10H2,1-3H3,(H,19,20)/t13-,14?/m1/s1.
What are the key properties of (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide?
(2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 104913159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).