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

C24H44N2O2 — CID 144575317

IUPACtert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane
SMILESC/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1.CC
InChIInChI=1S/C22H38N2O2.C2H6/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;1-2/h6,10,19-20,23H,7-9,11-16H2,1-5H3;1-2H3/b10-6-;
InChIKeyUABGJCSQIBOPDX-OTUCAILMSA-N
MW392.63 g/mol
LogP6.23
Rot. Bonds6

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

tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane (PubChem CID 144575317) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 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;ethane.

Molecular Properties

Compound Nametert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane
PubChem CID144575317
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC Nametert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane
SMILESC/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1.CC
InChIInChI=1S/C22H38N2O2.C2H6/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;1-2/h6,10,19-20,23H,7-9,11-16H2,1-5H3;1-2H3/b10-6-;
InChIKeyUABGJCSQIBOPDX-OTUCAILMSA-N
XLogP6.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 56.23
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;ethane with MolForge

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Related Compounds

Tert-butyl 4-(2-ethenylpenta-2,4-dienylamino)-3-fluoropiperidine-1-carboxylate
CID 91127963
tert-butyl N-[1-[(3E,5Z)-2,2-difluoro-3-methylhepta-3,5-dienyl]piperidin-4-yl]carbamate
CID 137467748
Tert-butyl 4-[(4,6-difluorocyclohexa-1,3-dien-1-yl)methylamino]piperidine-1-carboxylate
CID 143382599
tert-butyl N-[1-[(3E,4Z)-3-ethylidene-2,2-difluoro-7-methylocta-4,7-dienyl]piperidin-4-yl]carbamate
CID 163579055
tert-butyl (2S)-2,6-diethyl-4-[[1-methyl-3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methylamino]piperidine-1-carboxylate
CID 163856965
tert-butyl 4-[(2S)-4-(methylamino)-2-piperidin-1-ylbutyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164673220
tert-butyl N-[1-[(E)-3-[4-(aziridin-2-yl)butyl]-2,2-difluorohept-3-enyl]piperidin-4-yl]carbamate
CID 162575238
tert-butyl (3R)-3-[2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]piperazine-1-carboxylate
CID 162585347
Azanide;tert-butyl 2-phenylpiperidine-1-carboxylate;yttrium
CID 58315712
Tert-butyl 2-(1,2-dihydropyridin-4-yl)piperidine-1-carboxylate
CID 68726050
Tert-butyl 1,3,4,4a,5,5a-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 69289851
tert-butyl N-[(3E)-4-piperidin-1-ylcyclooct-3-en-1-yl]carbamate
CID 69738883

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;ethane?
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;ethane (CID 144575317) is tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane.
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;ethane?
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;ethane is C/C=C\C1=C(CC)CC(NCCC2CCCCN2C(=O)OC(C)(C)C)C1.CC.
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;ethane?
The InChIKey is UABGJCSQIBOPDX-OTUCAILMSA-N. The full InChI is InChI=1S/C22H38N2O2.C2H6/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;1-2/h6,10,19-20,23H,7-9,11-16H2,1-5H3;1-2H3/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;ethane?
tert-butyl 2-[2-[[3-ethyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-yl]amino]ethyl]piperidine-1-carboxylate;ethane has a molecular weight of 392.63 g/mol, XLogP of 6.23, 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;ethane is sourced from PubChem (CID 144575317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).