1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C27H30N2O3 — CID 110243490

IUPAC1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCC(CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2)c1c[nH]c2ccccc12
InChIInChI=1S/C27H30N2O3/c1-3-19(22-17-28-23-7-5-4-6-20(22)23)15-26(31)29-12-10-27(11-13-29)16-24(30)21-14-18(2)8-9-25(21)32-27/h4-9,14,17,19,28H,3,10-13,15-16H2,1-2H3
InChIKeyUDJFACDBJNDVSU-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.39
Rot. Bonds4

About 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 110243490) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID110243490
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCC(CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2)c1c[nH]c2ccccc12
InChIInChI=1S/C27H30N2O3/c1-3-19(22-17-28-23-7-5-4-6-20(22)23)15-26(31)29-12-10-27(11-13-29)16-24(30)21-14-18(2)8-9-25(21)32-27/h4-9,14,17,19,28H,3,10-13,15-16H2,1-2H3
InChIKeyUDJFACDBJNDVSU-UHFFFAOYSA-N
XLogP5.39
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 19030490
methyl (E)-3-[1'-[1-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enoate
CID 67071572
6-methyl-1'-[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734575
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
6-methyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757875
6-methyl-1'-[2-(2-nitrophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734546
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734544
6-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 90985582
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 110243490) is 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CCC(CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2)c1c[nH]c2ccccc12.
What is the InChIKey of 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is UDJFACDBJNDVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-3-19(22-17-28-23-7-5-4-6-20(22)23)15-26(31)29-12-10-27(11-13-29)16-24(30)21-14-18(2)8-9-25(21)32-27/h4-9,14,17,19,28H,3,10-13,15-16H2,1-2H3.
What are the key properties of 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 430.55 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(1H-indol-3-yl)pentanoyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 110243490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).