tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate

C18H32N2O3 — CID 99615275

IUPACtert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-13(19-16-8-7-14(10-16)12-21)15-6-5-9-20(11-15)17(22)23-18(2,3)4/h7-8,13-16,19,21H,5-6,9-12H2,1-4H3/t13-,14-,15+,16+/m0/s1
InChIKeyGJQKZMAEZZBFNL-CAOSSQGBSA-N
MW324.47 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 99615275) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
PubChem CID99615275
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
SMILESC[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-13(19-16-8-7-14(10-16)12-21)15-6-5-9-20(11-15)17(22)23-18(2,3)4/h7-8,13-16,19,21H,5-6,9-12H2,1-4H3/t13-,14-,15+,16+/m0/s1
InChIKeyGJQKZMAEZZBFNL-CAOSSQGBSA-N
XLogP2.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate
CID 91660354
tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 107247337
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-[(1-hydroxy-2-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103680604
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl (3R)-3-[(1R)-3-hydroxy-1-(methylamino)propyl]piperidine-1-carboxylate
CID 97167731
tert-butyl 3-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]piperidine-1-carboxylate
CID 104956178

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate (CID 99615275) is tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate is C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is GJQKZMAEZZBFNL-CAOSSQGBSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(19-16-8-7-14(10-16)12-21)15-6-5-9-20(11-15)17(22)23-18(2,3)4/h7-8,13-16,19,21H,5-6,9-12H2,1-4H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1S)-1-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 99615275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).