ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate

C23H40N2O5 — CID 171594312

IUPACethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1
InChIInChI=1S/C23H40N2O5/c1-5-29-23(28)19-12-9-13-25(14-19)22(27)20(24-21(26)16(2)3)17(4)30-15-18-10-7-6-8-11-18/h16-20H,5-15H2,1-4H3,(H,24,26)
InChIKeyUPGOGYSZQVLKER-UHFFFAOYSA-N
MW424.58 g/mol
LogP2.91
Rot. Bonds9

About ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate

ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate (PubChem CID 171594312) has the molecular formula C23H40N2O5 and a molecular weight of 424.58 g/mol. Its IUPAC name is ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
PubChem CID171594312
Molecular FormulaC23H40N2O5
Molecular Weight424.58 g/mol
Exact Mass424.29
IUPAC Nameethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1
InChIInChI=1S/C23H40N2O5/c1-5-29-23(28)19-12-9-13-25(14-19)22(27)20(24-21(26)16(2)3)17(4)30-15-18-10-7-6-8-11-18/h16-20H,5-15H2,1-4H3,(H,24,26)
InChIKeyUPGOGYSZQVLKER-UHFFFAOYSA-N
XLogP2.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
ethyl 1-[3-methyl-2-(pentanoylamino)butanoyl]piperidine-3-carboxylate
CID 42697442
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylate
CID 51159672

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate (CID 171594312) is ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCCCC2)C1.
What is the InChIKey of ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate?
The InChIKey is UPGOGYSZQVLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O5/c1-5-29-23(28)19-12-9-13-25(14-19)22(27)20(24-21(26)16(2)3)17(4)30-15-18-10-7-6-8-11-18/h16-20H,5-15H2,1-4H3,(H,24,26).
What are the key properties of ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate has a molecular weight of 424.58 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 171594312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).