tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

C32H46N2O2 — CID 22982761

IUPACtert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C32H46N2O2/c1-32(2,3)36-31(35)33(4)29-22-28(30(23-29)27-16-9-6-10-17-27)24-34-20-18-26(19-21-34)15-11-14-25-12-7-5-8-13-25/h5-10,12-13,16-17,26,28-30H,11,14-15,18-24H2,1-4H3
InChIKeyXFWWPWLRVRYGHK-UHFFFAOYSA-N
MW490.73 g/mol
LogP7.15
Rot. Bonds8

About tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate

tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (PubChem CID 22982761) has the molecular formula C32H46N2O2 and a molecular weight of 490.73 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
PubChem CID22982761
Molecular FormulaC32H46N2O2
Molecular Weight490.73 g/mol
Exact Mass490.36
IUPAC Nametert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C32H46N2O2/c1-32(2,3)36-31(35)33(4)29-22-28(30(23-29)27-16-9-6-10-17-27)24-34-20-18-26(19-21-34)15-11-14-25-12-7-5-8-13-25/h5-10,12-13,16-17,26,28-30H,11,14-15,18-24H2,1-4H3
InChIKeyXFWWPWLRVRYGHK-UHFFFAOYSA-N
XLogP7.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 22982753
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
tert-butyl N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 59045486
N-[(3S,4S)-3-[[4-hydroxy-4-(3-phenylpropyl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylbenzamide;N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]benzamide
CID 91356325
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
CID 18345112
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
2-[[(3S,4S)-3-[[4-[3-(4-cyanophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-(2-methylpropyl)amino]acetic acid
CID 163561576
(2R)-2-cyclopropyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
CID 501059
N-methyl-N-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]cyclopentyl]benzamide;hydrochloride
CID 70026533
2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
(2R)-3-cyclobutyl-2-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 501062
methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032884

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate (CID 22982761) is tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is CN(C(=O)OC(C)(C)C)C1CC(CN2CCC(CCCc3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
The InChIKey is XFWWPWLRVRYGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O2/c1-32(2,3)36-31(35)33(4)29-22-28(30(23-29)27-16-9-6-10-17-27)24-34-20-18-26(19-21-34)15-11-14-25-12-7-5-8-13-25/h5-10,12-13,16-17,26,28-30H,11,14-15,18-24H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate?
tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate has a molecular weight of 490.73 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate is sourced from PubChem (CID 22982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).