ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

C20H28N2O5 — CID 58066140

IUPACethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](OCC2CC2)C1
InChIInChI=1S/C20H28N2O5/c1-2-25-20(24)22-11-10-17(18(12-22)26-13-16-8-9-16)21-19(23)27-14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyUECNLUWTPLDBDI-MSOLQXFVSA-N
MW376.45 g/mol
LogP2.94
Rot. Bonds7

About ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate

ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 58066140) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
PubChem CID58066140
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](OCC2CC2)C1
InChIInChI=1S/C20H28N2O5/c1-2-25-20(24)22-11-10-17(18(12-22)26-13-16-8-9-16)21-19(23)27-14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyUECNLUWTPLDBDI-MSOLQXFVSA-N
XLogP2.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
ethyl 4-amino-3-phenylmethoxypiperidine-1-carboxylate
CID 68628868
2-acetyl-4-[3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 151817990
benzyl 3-(3-ethoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 155295084
(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 91439797
(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
ethyl (3R,4S)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate
CID 67914576
benzyl 3-(2-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 170885033
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidin-3-yl]acetic acid
CID 165498196
benzyl 3-(4-methylphenyl)sulfonyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 166070897

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate (CID 58066140) is ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)[C@@H](OCC2CC2)C1.
What is the InChIKey of ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is UECNLUWTPLDBDI-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-2-25-20(24)22-11-10-17(18(12-22)26-13-16-8-9-16)21-19(23)27-14-15-6-4-3-5-7-15/h3-7,16-18H,2,8-14H2,1H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate?
ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 58066140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).