[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate

C18H28N2O3 — CID 175627876

IUPAC[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESNC(=O)OC[C@@]12CC1[C@H](C(=O)N1CCC(C3CCCC3)CC1)C2
InChIInChI=1S/C18H28N2O3/c19-17(22)23-11-18-9-14(15(18)10-18)16(21)20-7-5-13(6-8-20)12-3-1-2-4-12/h12-15H,1-11H2,(H2,19,22)/t14-,15?,18-/m1/s1
InChIKeyRMUDNRZDGOHCCH-KZXIYFNPSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds4

About [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate

[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate (PubChem CID 175627876) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate.

Molecular Properties

Compound Name[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate
PubChem CID175627876
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate
SMILESNC(=O)OC[C@@]12CC1[C@H](C(=O)N1CCC(C3CCCC3)CC1)C2
InChIInChI=1S/C18H28N2O3/c19-17(22)23-11-18-9-14(15(18)10-18)16(21)20-7-5-13(6-8-20)12-3-1-2-4-12/h12-15H,1-11H2,(H2,19,22)/t14-,15?,18-/m1/s1
InChIKeyRMUDNRZDGOHCCH-KZXIYFNPSA-N
XLogP2.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate with MolForge

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Related Compounds

[(1R,3R)-3-[1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-1-bicyclo[2.1.0]pentanyl]methyl carbamate
CID 166718526
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2-methylcyclohexyl)methanone
CID 62781364
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
CID 174429341
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-aminocyclopropyl)methanone
CID 65466572
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
cis-(1R,2S)-2-(aziridine-1-carbonyl)cyclopentane-1-carboxamide
CID 57463673
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
N-[[1-[(1R,2R)-2-cyclobutylcyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 99775405
(2-cyclohexylcyclopropyl)-piperazin-1-ylmethanone
CID 119400440
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The IUPAC name of [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate (CID 175627876) is [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate.
What is the SMILES notation for [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The canonical SMILES for [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate is NC(=O)OC[C@@]12CC1[C@H](C(=O)N1CCC(C3CCCC3)CC1)C2.
What is the InChIKey of [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
The InChIKey is RMUDNRZDGOHCCH-KZXIYFNPSA-N. The full InChI is InChI=1S/C18H28N2O3/c19-17(22)23-11-18-9-14(15(18)10-18)16(21)20-7-5-13(6-8-20)12-3-1-2-4-12/h12-15H,1-11H2,(H2,19,22)/t14-,15?,18-/m1/s1.
What are the key properties of [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate?
[(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(4-cyclopentylpiperidine-1-carbonyl)-1-bicyclo[2.1.0]pentanyl]methyl carbamate is sourced from PubChem (CID 175627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).