(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

C21H30N2O2 — CID 95777255

IUPAC(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@]2(C)CCc3ccccc3C2)C1
InChIInChI=1S/C21H30N2O2/c1-15(2)20(25)23-12-6-9-18(14-23)19(24)22-21(3)11-10-16-7-4-5-8-17(16)13-21/h4-5,7-8,15,18H,6,9-14H2,1-3H3,(H,22,24)/t18-,21+/m1/s1
InChIKeyCMUKNASSFXXFJQ-NQIIRXRSSA-N
MW342.48 g/mol
LogP2.94
Rot. Bonds3

About (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (PubChem CID 95777255) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
PubChem CID95777255
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@]2(C)CCc3ccccc3C2)C1
InChIInChI=1S/C21H30N2O2/c1-15(2)20(25)23-12-6-9-18(14-23)19(24)22-21(3)11-10-16-7-4-5-8-17(16)13-21/h4-5,7-8,15,18H,6,9-14H2,1-3H3,(H,22,24)/t18-,21+/m1/s1
InChIKeyCMUKNASSFXXFJQ-NQIIRXRSSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide (CID 95777255) is (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@@]2(C)CCc3ccccc3C2)C1.
What is the InChIKey of (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
The InChIKey is CMUKNASSFXXFJQ-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)20(25)23-12-6-9-18(14-23)19(24)22-21(3)11-10-16-7-4-5-8-17(16)13-21/h4-5,7-8,15,18H,6,9-14H2,1-3H3,(H,22,24)/t18-,21+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide?
(3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1-(2-methylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 95777255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).