ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate

C19H32N2O3 — CID 98786082

IUPACethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1
InChIInChI=1S/C19H32N2O3/c1-2-24-18(22)16-8-5-11-21(13-16)19(23)20-17-10-9-14-6-3-4-7-15(14)12-17/h14-17H,2-13H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
InChIKeyQXKSKDLGDFJWFL-QBPKDAKJSA-N
MW336.48 g/mol
LogP3.33
Rot. Bonds3

About ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate

ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate (PubChem CID 98786082) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate
PubChem CID98786082
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nameethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1
InChIInChI=1S/C19H32N2O3/c1-2-24-18(22)16-8-5-11-21(13-16)19(23)20-17-10-9-14-6-3-4-7-15(14)12-17/h14-17H,2-13H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1
InChIKeyQXKSKDLGDFJWFL-QBPKDAKJSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47765772
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
CID 108915450
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
CID 81344758
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-3-carboxylate
CID 46513780
ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
CID 7543946
ethyl 1-(oxan-4-ylmethylcarbamoyl)piperidine-3-carboxylate
CID 108912857
[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] (3S)-1-butanoylpiperidine-3-carboxylate
CID 99804222
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate (CID 98786082) is ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1.
What is the InChIKey of ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate?
The InChIKey is QXKSKDLGDFJWFL-QBPKDAKJSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-2-24-18(22)16-8-5-11-21(13-16)19(23)20-17-10-9-14-6-3-4-7-15(14)12-17/h14-17H,2-13H2,1H3,(H,20,23)/t14-,15-,16-,17-/m1/s1.
What are the key properties of ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 98786082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).