acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one

C20H27N3O4 — CID 154916173

IUPACacetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(=O)O.NCCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2.C2H4O2/c19-9-5-16(22)21-10-7-18(8-11-21)17-14(6-12-23-18)13-3-1-2-4-15(13)20-17;1-2(3)4/h1-4,20H,5-12,19H2;1H3,(H,3,4)
InChIKeyJMVXDSYNUGZKIP-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.00
Rot. Bonds2

About acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one

acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 154916173) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Nameacetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
PubChem CID154916173
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameacetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
SMILESCC(=O)O.NCCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2.C2H4O2/c19-9-5-16(22)21-10-7-18(8-11-21)17-14(6-12-23-18)13-3-1-2-4-15(13)20-17;1-2(3)4/h1-4,20H,5-12,19H2;1H3,(H,3,4)
InChIKeyJMVXDSYNUGZKIP-UHFFFAOYSA-N
XLogP2.00
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one with MolForge

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Related Compounds

3-methyl-5-oxo-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpentanoic acid
CID 126473402
1-methyl-1-(2-oxo-2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)urea
CID 135114267
2-(2-methylphenyl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135101019
3-(2-amino-1,3-thiazol-4-yl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 135099521
2-(2-methoxyphenoxy)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135112568
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 162634593
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
(2S)-2-(methylamino)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one;hydrochloride
CID 154915929
(2,3-dimethylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 135094809
(2-morpholin-4-ylphenyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 162632741
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one (CID 154916173) is acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one is CC(=O)O.NCCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12.
What is the InChIKey of acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is JMVXDSYNUGZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C2H4O2/c19-9-5-16(22)21-10-7-18(8-11-21)17-14(6-12-23-18)13-3-1-2-4-15(13)20-17;1-2(3)4/h1-4,20H,5-12,19H2;1H3,(H,3,4).
What are the key properties of acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one?
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 373.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 154916173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).