tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate

C22H38N2O2 — CID 144575318

IUPACtert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate
SMILESC/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H38N2O2/c1-6-10-18-16-19(15-17(18)7-2)23-13-12-20-11-8-9-14-24(20)21(25)26-22(3,4)5/h6,10,19-20,23H,7-9,11-16H2,1-5H3/b10-6-
InChIKeyKLITVJARSGCVJW-POHAHGRESA-N
MW362.56 g/mol
LogP5.20
Rot. Bonds6

About tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate

tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 144575318) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate
PubChem CID144575318
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Nametert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate
SMILESC/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C22H38N2O2/c1-6-10-18-16-19(15-17(18)7-2)23-13-12-20-11-8-9-14-24(20)21(25)26-22(3,4)5/h6,10,19-20,23H,7-9,11-16H2,1-5H3/b10-6-
InChIKeyKLITVJARSGCVJW-POHAHGRESA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate (CID 144575318) is tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate is C/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is KLITVJARSGCVJW-POHAHGRESA-N. The full InChI is InChI=1S/C22H38N2O2/c1-6-10-18-16-19(15-17(18)7-2)23-13-12-20-11-8-9-14-24(20)21(25)26-22(3,4)5/h6,10,19-20,23H,7-9,11-16H2,1-5H3/b10-6-.
What are the key properties of tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate?
tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 362.56 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 144575318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).