(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone

C24H35N3O2 — CID 131661792

IUPAC(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone
SMILESO=C(C1CC2(CCNCC2)Oc2ccccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(27-16-14-26(15-17-27)19-6-2-1-3-7-19)21-18-24(10-12-25-13-11-24)29-22-9-5-4-8-20(21)22/h4-5,8-9,19,21,25H,1-3,6-7,10-18H2
InChIKeyYBSBCLNBGRTLTA-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.15
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone

(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone (PubChem CID 131661792) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone
PubChem CID131661792
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone
SMILESO=C(C1CC2(CCNCC2)Oc2ccccc21)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C24H35N3O2/c28-23(27-16-14-26(15-17-27)19-6-2-1-3-7-19)21-18-24(10-12-25-13-11-24)29-22-9-5-4-8-20(21)22/h4-5,8-9,19,21,25H,1-3,6-7,10-18H2
InChIKeyYBSBCLNBGRTLTA-UHFFFAOYSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone with MolForge

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Related Compounds

4-morpholin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82046973
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 131703888
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56722979
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 136585454
N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
CID 134068952
1'-cyclohexylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 58035370
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
N-(1-benzylpiperidin-4-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
CID 134073540
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
(4-cyclopentylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119843049
[4-(thian-4-yl)-1,4-diazepan-1-yl]-(9H-xanthen-9-yl)methanone
CID 122245357

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone (CID 131661792) is (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone is O=C(C1CC2(CCNCC2)Oc2ccccc21)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone?
The InChIKey is YBSBCLNBGRTLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23(27-16-14-26(15-17-27)19-6-2-1-3-7-19)21-18-24(10-12-25-13-11-24)29-22-9-5-4-8-20(21)22/h4-5,8-9,19,21,25H,1-3,6-7,10-18H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone?
(4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone has a molecular weight of 397.56 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylmethanone is sourced from PubChem (CID 131661792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).