N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

C20H26N4O — CID 125438609

IUPACN-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESC[C@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)n1ccnc1
InChIInChI=1S/C20H26N4O/c1-16(24-13-10-21-15-24)14-22-19(25)23-11-8-20(9-12-23)7-6-17-4-2-3-5-18(17)20/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyKQFXTHVCKMYYGC-MRXNPFEDSA-N
MW338.46 g/mol
LogP3.13
Rot. Bonds3

About N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (PubChem CID 125438609) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
PubChem CID125438609
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
SMILESC[C@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)n1ccnc1
InChIInChI=1S/C20H26N4O/c1-16(24-13-10-21-15-24)14-22-19(25)23-11-8-20(9-12-23)7-6-17-4-2-3-5-18(17)20/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyKQFXTHVCKMYYGC-MRXNPFEDSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-imidazol-1-ylpropyl]-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 125438167
N-(2-imidazol-1-ylpropyl)-4-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 122559836
N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 126442712
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
N-[2-[(3S)-oxan-3-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 125438640
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethanone
CID 166613892
2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
1-methyl-N-[(1S)-1-[4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide
CID 171913671
4-(1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl)-2H-phthalazin-1-one
CID 131895804
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (CID 125438609) is N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is C[C@H](CNC(=O)N1CCC2(CCc3ccccc32)CC1)n1ccnc1.
What is the InChIKey of N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
The InChIKey is KQFXTHVCKMYYGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(24-13-10-21-15-24)14-22-19(25)23-11-8-20(9-12-23)7-6-17-4-2-3-5-18(17)20/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?
N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-imidazol-1-ylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 125438609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).