benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride

C34H43ClN2O3 — CID 70156908

IUPACbenzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(CC2CC(OCc3ccccc3)CC2c2ccccc2)CC1.Cl
InChIInChI=1S/C34H42N2O3.ClH/c1-2-36(34(37)39-26-28-14-8-4-9-15-28)31-18-20-35(21-19-31)24-30-22-32(38-25-27-12-6-3-7-13-27)23-33(30)29-16-10-5-11-17-29;/h3-17,30-33H,2,18-26H2,1H3;1H
InChIKeyFPMLBECLFKQIBY-UHFFFAOYSA-N
MW563.18 g/mol
LogP7.31
Rot. Bonds10

About benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride

benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride (PubChem CID 70156908) has the molecular formula C34H43ClN2O3 and a molecular weight of 563.18 g/mol. Its IUPAC name is benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride
PubChem CID70156908
Molecular FormulaC34H43ClN2O3
Molecular Weight563.18 g/mol
Exact Mass562.30
IUPAC Namebenzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(CC2CC(OCc3ccccc3)CC2c2ccccc2)CC1.Cl
InChIInChI=1S/C34H42N2O3.ClH/c1-2-36(34(37)39-26-28-14-8-4-9-15-28)31-18-20-35(21-19-31)24-30-22-32(38-25-27-12-6-3-7-13-27)23-33(30)29-16-10-5-11-17-29;/h3-17,30-33H,2,18-26H2,1H3;1H
InChIKeyFPMLBECLFKQIBY-UHFFFAOYSA-N
XLogP7.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.18
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-[[4-[benzenesulfonyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-ethylcarbamate
CID 18345148
benzyl N-ethyl-N-[1-[[(1S,2S)-4-methyl-2-phenylcyclopentyl]methyl]piperidin-4-yl]carbamate;1-tert-butyl-4-methylcyclohexane
CID 142033593
benzyl N-ethyl-N-[1-[[4-[methylsulfonyl-(3,3,5-trimethylcyclohexyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]carbamate
CID 18345168
benzyl N-[1-[[4-[benzoyl(methyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-butan-2-ylcarbamate
CID 70157140
benzyl N-[1-[[(3S,4S)-1-(cyclohexanecarbonyl)-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
CID 54327273
(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[ethyl(2-phenylethoxycarbonyl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 59895060
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
2-[[3-[[4-[(4-fluorophenyl)methoxycarbonyl-propylamino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-4-methylpentanoic acid
CID 22890989
benzyl N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcarbamate;benzyl N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 90747890
(2R)-2-[[3-(3-fluorophenyl)-4-[[4-[(3-fluorophenyl)methoxycarbonyl-propylamino]piperidin-1-yl]methyl]cyclopentyl]-methylamino]-3-methylbutanoic acid;dihydrochloride
CID 70157447
(4-nitrophenyl)methyl N-[1-[[4-[methyl-(2-phenylacetyl)amino]-2-phenylcyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 18372805
3-cyclobutyl-2-[(3S,4S)-3-[[4-[(4-methylphenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]methyl]-4-phenylcyclopentyl]propanoic acid
CID 59032736

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride?
The IUPAC name of benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride (CID 70156908) is benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride is CCN(C(=O)OCc1ccccc1)C1CCN(CC2CC(OCc3ccccc3)CC2c2ccccc2)CC1.Cl.
What is the InChIKey of benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride?
The InChIKey is FPMLBECLFKQIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O3.ClH/c1-2-36(34(37)39-26-28-14-8-4-9-15-28)31-18-20-35(21-19-31)24-30-22-32(38-25-27-12-6-3-7-13-27)23-33(30)29-16-10-5-11-17-29;/h3-17,30-33H,2,18-26H2,1H3;1H.
What are the key properties of benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride?
benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride has a molecular weight of 563.18 g/mol, XLogP of 7.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[1-[(2-phenyl-4-phenylmethoxycyclopentyl)methyl]piperidin-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 70156908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).