ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

C24H35N3O2 — CID 89136835

IUPACethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESC=C(C)N[C@@H]1CC2(CCN(C3CCN(C(=O)OCC)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O2/c1-4-29-23(28)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-22(25-18(2)3)20-7-5-6-8-21(20)24/h5-8,19,22,25H,2,4,9-17H2,1,3H3/t22-/m1/s1
InChIKeyMWWCRWOJHQXYCN-JOCHJYFZSA-N
MW397.56 g/mol
LogP4.21
Rot. Bonds4

About ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate

ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (PubChem CID 89136835) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
PubChem CID89136835
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Nameethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
SMILESC=C(C)N[C@@H]1CC2(CCN(C3CCN(C(=O)OCC)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O2/c1-4-29-23(28)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-22(25-18(2)3)20-7-5-6-8-21(20)24/h5-8,19,22,25H,2,4,9-17H2,1,3H3/t22-/m1/s1
InChIKeyMWWCRWOJHQXYCN-JOCHJYFZSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(1S)-1-(methoxycarbonylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 158796249
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 58815543
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 160602554
ethyl 4-(1-acetyl-7-bromospiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433197
ethyl 4-(4-cyanospiro[2H-naphthalene-1,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 25013135
ethyl 4-[1-(piperidine-1-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433227
N-[(1S)-1'-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158134164

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate (CID 89136835) is ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is C=C(C)N[C@@H]1CC2(CCN(C3CCN(C(=O)OCC)CC3)CC2)c2ccccc21.
What is the InChIKey of ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
The InChIKey is MWWCRWOJHQXYCN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-29-23(28)27-13-9-19(10-14-27)26-15-11-24(12-16-26)17-22(25-18(2)3)20-7-5-6-8-21(20)24/h5-8,19,22,25H,2,4,9-17H2,1,3H3/t22-/m1/s1.
What are the key properties of ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate?
ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate has a molecular weight of 397.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R)-1-(prop-1-en-2-ylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate is sourced from PubChem (CID 89136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).