N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide

C22H31N3O2 — CID 166300989

IUPACN-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCC2(CC1)CN(C)c1ccccc12
InChIInChI=1S/C22H31N3O2/c1-16(26)23-19(14-17-6-5-7-17)21(27)25-12-10-22(11-13-25)15-24(2)20-9-4-3-8-18(20)22/h3-4,8-9,17,19H,5-7,10-15H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyVSAJUJBEHSEHJR-LJQANCHMSA-N
MW369.51 g/mol
LogP2.69
Rot. Bonds4

About N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide

N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 166300989) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide
PubChem CID166300989
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CC1CCC1)C(=O)N1CCC2(CC1)CN(C)c1ccccc12
InChIInChI=1S/C22H31N3O2/c1-16(26)23-19(14-17-6-5-7-17)21(27)25-12-10-22(11-13-25)15-24(2)20-9-4-3-8-18(20)22/h3-4,8-9,17,19H,5-7,10-15H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyVSAJUJBEHSEHJR-LJQANCHMSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

FR 900452
CID 9866325
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
(2S)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide
CID 23648411
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
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2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(2-isopropyl-phenyl)-acetamide
CID 680595
Indotertine B
CID 71665546
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
Amedalin
CID 31075
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(N-methylacetamido)phenyl]-1-oxobutan-2-aminium
CID 23647710
(2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648349

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide (CID 166300989) is N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC2(CC1)CN(C)c1ccccc12.
What is the InChIKey of N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is VSAJUJBEHSEHJR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16(26)23-19(14-17-6-5-7-17)21(27)25-12-10-22(11-13-25)15-24(2)20-9-4-3-8-18(20)22/h3-4,8-9,17,19H,5-7,10-15H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide?
N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 369.51 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-cyclobutyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 166300989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).