benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate

C34H44N2O3 — CID 3010255

IUPACbenzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(CCC(CC(C)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H44N2O3/c1-3-36(34(37)39-27-30-15-9-5-10-16-30)33-20-23-35(24-21-33)22-19-32(31-17-11-6-12-18-31)25-28(2)38-26-29-13-7-4-8-14-29/h4-18,28,32-33H,3,19-27H2,1-2H3
InChIKeyDXVIZQRYEHUENT-UHFFFAOYSA-N
MW528.74 g/mol
LogP7.28
Rot. Bonds13

About benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate

benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate (PubChem CID 3010255) has the molecular formula C34H44N2O3 and a molecular weight of 528.74 g/mol. Its IUPAC name is benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate
PubChem CID3010255
Molecular FormulaC34H44N2O3
Molecular Weight528.74 g/mol
Exact Mass528.34
IUPAC Namebenzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate
SMILESCCN(C(=O)OCc1ccccc1)C1CCN(CCC(CC(C)OCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H44N2O3/c1-3-36(34(37)39-27-30-15-9-5-10-16-30)33-20-23-35(24-21-33)22-19-32(31-17-11-6-12-18-31)25-28(2)38-26-29-13-7-4-8-14-29/h4-18,28,32-33H,3,19-27H2,1-2H3
InChIKeyDXVIZQRYEHUENT-UHFFFAOYSA-N
XLogP7.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.74
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 57029005
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclopropylmethyl)carbamate
CID 57153781
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
CID 18407142
benzyl N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-ethylcarbamate
CID 77144103
benzyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-methoxyethyl)carbamate;hydrochloride
CID 70151941
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-methoxyethyl)carbamate;hydrochloride
CID 18407156
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
benzyl N-[1-(2-aminoacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566688
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
benzyl N-[1-(2-chloroacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566616

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate (CID 3010255) is benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate is CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CC(C)OCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate?
The InChIKey is DXVIZQRYEHUENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O3/c1-3-36(34(37)39-27-30-15-9-5-10-16-30)33-20-23-35(24-21-33)22-19-32(31-17-11-6-12-18-31)25-28(2)38-26-29-13-7-4-8-14-29/h4-18,28,32-33H,3,19-27H2,1-2H3.
What are the key properties of benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate?
benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate has a molecular weight of 528.74 g/mol, XLogP of 7.28, 13 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-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 3010255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).