tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate

C22H35N3O2 — CID 46175795

IUPACtert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O2/c1-22(2,3)27-21(26)23(4)19-10-11-20(16-19)25-14-12-24(13-15-25)17-18-8-6-5-7-9-18/h5-9,19-20H,10-17H2,1-4H3/t19-,20+/m0/s1
InChIKeyDSLSGOHTMLYSJY-VQTJNVASSA-N
MW373.54 g/mol
LogP3.59
Rot. Bonds4

About tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate

tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate (PubChem CID 46175795) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
PubChem CID46175795
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Nametert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O2/c1-22(2,3)27-21(26)23(4)19-10-11-20(16-19)25-14-12-24(13-15-25)17-18-8-6-5-7-9-18/h5-9,19-20H,10-17H2,1-4H3/t19-,20+/m0/s1
InChIKeyDSLSGOHTMLYSJY-VQTJNVASSA-N
XLogP3.59
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
(2S,4S)-4-(4-benzylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 129319696
tert-butyl N-[(2R)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637607
tert-butyl N-[(2S)-4-benzylmorpholin-2-yl]-N-methylcarbamate
CID 124637606
1-benzyl-4-cyclopropylpiperazine
CID 69195043
tert-butyl 8-benzyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxylate
CID 118992843
tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387
tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337386
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate (CID 46175795) is tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate?
The InChIKey is DSLSGOHTMLYSJY-VQTJNVASSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-22(2,3)27-21(26)23(4)19-10-11-20(16-19)25-14-12-24(13-15-25)17-18-8-6-5-7-9-18/h5-9,19-20H,10-17H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate?
tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate has a molecular weight of 373.54 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 46175795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).