1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]

C27H32N2O — CID 118711493

IUPAC1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
SMILESc1ccc(C2(N3CCCCC3)CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1
InChIInChI=1S/C27H32N2O/c1-3-9-21(10-4-1)26(29-18-7-2-8-19-29)14-16-27(17-15-26)25-23(13-20-30-27)22-11-5-6-12-24(22)28-25/h1,3-6,9-12,28H,2,7-8,13-20H2
InChIKeyYYHZDVZFNCJBSL-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.89
Rot. Bonds2

About 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]

1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] (PubChem CID 118711493) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane].

Molecular Properties

Compound Name1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
PubChem CID118711493
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
SMILESc1ccc(C2(N3CCCCC3)CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1
InChIInChI=1S/C27H32N2O/c1-3-9-21(10-4-1)26(29-18-7-2-8-19-29)14-16-27(17-15-26)25-23(13-20-30-27)22-11-5-6-12-24(22)28-25/h1,3-6,9-12,28H,2,7-8,13-20H2
InChIKeyYYHZDVZFNCJBSL-UHFFFAOYSA-N
XLogP5.89
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(azetidin-1-yl)-1'-(3-fluorophenyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]
CID 67127364
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
3-methyl-5-oxo-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpentanoic acid
CID 126473402
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
oxolan-3-yl(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 135091683
1'-butyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 25062480
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118711487
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 135087813
1-methyl-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl-1,2,4-triazole-3-carboxylic acid
CID 163306903
[(2S)-piperidin-2-yl]-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918485
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
2-(2-methylphenyl)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 135101019

Frequently Asked Questions

What is the IUPAC name of 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]?
The IUPAC name of 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] (CID 118711493) is 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane].
What is the SMILES notation for 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]?
The canonical SMILES for 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] is c1ccc(C2(N3CCCCC3)CCC3(CC2)OCCc2c3[nH]c3ccccc23)cc1.
What is the InChIKey of 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]?
The InChIKey is YYHZDVZFNCJBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-3-9-21(10-4-1)26(29-18-7-2-8-19-29)14-16-27(17-15-26)25-23(13-20-30-27)22-11-5-6-12-24(22)28-25/h1,3-6,9-12,28H,2,7-8,13-20H2.
What are the key properties of 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]?
1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] has a molecular weight of 400.57 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenyl-1'-piperidin-1-ylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane] is sourced from PubChem (CID 118711493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).