N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

C22H31N3O2 — CID 126442712

IUPACN-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)N1C[C@H](CNC(=O)N2CCC3(CCc4ccccc43)CC2)CC1=O
InChIInChI=1S/C22H31N3O2/c1-16(2)25-15-17(13-20(25)26)14-23-21(27)24-11-9-22(10-12-24)8-7-18-5-3-4-6-19(18)22/h3-6,16-17H,7-15H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyDRSYPBGLHIGPAX-KRWDZBQOSA-N
MW369.51 g/mol
LogP2.93
Rot. Bonds3

About N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (PubChem CID 126442712) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
PubChem CID126442712
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESCC(C)N1C[C@H](CNC(=O)N2CCC3(CCc4ccccc43)CC2)CC1=O
InChIInChI=1S/C22H31N3O2/c1-16(2)25-15-17(13-20(25)26)14-23-21(27)24-11-9-22(10-12-24)8-7-18-5-3-4-6-19(18)22/h3-6,16-17H,7-15H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyDRSYPBGLHIGPAX-KRWDZBQOSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438609
N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438640
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051053
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 110749341
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (CID 126442712) is N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is CC(C)N1C[C@H](CNC(=O)N2CCC3(CCc4ccccc43)CC2)CC1=O.
What is the InChIKey of N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The InChIKey is DRSYPBGLHIGPAX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(2)25-15-17(13-20(25)26)14-23-21(27)24-11-9-22(10-12-24)8-7-18-5-3-4-6-19(18)22/h3-6,16-17H,7-15H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 126442712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).