ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate

C17H30N2O3 — CID 95605349

IUPACethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1
InChIInChI=1S/C17H30N2O3/c1-4-22-16(20)14-8-10-19(11-9-14)17(21)18-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyWDAVNFVFHOYWEZ-KCQAQPDRSA-N
MW310.44 g/mol
LogP2.80
Rot. Bonds3

About ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate (PubChem CID 95605349) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate
PubChem CID95605349
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nameethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1
InChIInChI=1S/C17H30N2O3/c1-4-22-16(20)14-8-10-19(11-9-14)17(21)18-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyWDAVNFVFHOYWEZ-KCQAQPDRSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

4-(cyclopropanecarbonyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperazine-1-carboxamide
CID 124859696
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
ethyl 1-[N'-ethyl-N-(2-methylcyclopropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155837
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
ethyl 1-(cyclopentylcarbamothioyl)piperidine-4-carboxylate
CID 892640
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94515009
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate (CID 95605349) is ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1.
What is the InChIKey of ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is WDAVNFVFHOYWEZ-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-4-22-16(20)14-8-10-19(11-9-14)17(21)18-15-7-5-6-12(2)13(15)3/h12-15H,4-11H2,1-3H3,(H,18,21)/t12-,13-,15+/m0/s1.
What are the key properties of ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 95605349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).