[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate

C20H27NO4 — CID 66701395

IUPAC[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
SMILESCCc1ccc(C2CC(OC(=O)O)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C20H27NO4/c1-2-14-7-9-15(10-8-14)17-11-18(25-20(23)24)13-21(12-17)19(22)16-5-3-4-6-16/h7-10,16-18H,2-6,11-13H2,1H3,(H,23,24)
InChIKeySTNCTBBMHRFEGV-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.82
Rot. Bonds4

About [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate

[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate (PubChem CID 66701395) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
PubChem CID66701395
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
SMILESCCc1ccc(C2CC(OC(=O)O)CN(C(=O)C3CCCC3)C2)cc1
InChIInChI=1S/C20H27NO4/c1-2-14-7-9-15(10-8-14)17-11-18(25-20(23)24)13-21(12-17)19(22)16-5-3-4-6-16/h7-10,16-18H,2-6,11-13H2,1H3,(H,23,24)
InChIKeySTNCTBBMHRFEGV-UHFFFAOYSA-N
XLogP3.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762056
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42865370
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
(5-bromo-2-pyridinyl) N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]carbamate
CID 66701321
methyl 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]piperidine-3-carboximidate
CID 143810858
cyclopentyl-[3-(4-ethylphenyl)-5-[1-(4-fluorophenyl)imidazol-4-yl]piperidin-1-yl]methanone
CID 174621459
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
CID 46931307
[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl] hydrogen carbonate
CID 67084196
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024709
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate?
The IUPAC name of [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate (CID 66701395) is [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate.
What is the SMILES notation for [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate?
The canonical SMILES for [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate is CCc1ccc(C2CC(OC(=O)O)CN(C(=O)C3CCCC3)C2)cc1.
What is the InChIKey of [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate?
The InChIKey is STNCTBBMHRFEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-2-14-7-9-15(10-8-14)17-11-18(25-20(23)24)13-21(12-17)19(22)16-5-3-4-6-16/h7-10,16-18H,2-6,11-13H2,1H3,(H,23,24).
What are the key properties of [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate?
[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate has a molecular weight of 345.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate is sourced from PubChem (CID 66701395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).