1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H27NO2 — CID 134791618

IUPAC1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21
InChIInChI=1S/C20H27NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyUYUMXGKQUNVDKU-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.07
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 134791618) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID134791618
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21
InChIInChI=1S/C20H27NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
InChIKeyUYUMXGKQUNVDKU-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Polysulfide rubber
CID 2856734
3,4-Dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
CID 11106781
Flavamine
CID 27443
N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
Spiro(1-benzopyran-2,4'-piperidin)-4(3H)-one--hydrogen chloride (1/1)
CID 2771097
3-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 2838196
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145
4-Oxidanylidene-N-[(1s,2r)-2-Phenylcyclopropyl]spiro[3h-Chromene-2,4'-Piperidine]-1'-Carboxamide
CID 44593665

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 134791618) is 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is UYUMXGKQUNVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2.
What are the key properties of 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 313.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 134791618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).