(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one

C20H27NO — CID 143604165

IUPAC(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
SMILESCC[C@@H](C)CCC(=O)C1=CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C20H27NO/c1-3-15(2)8-9-19(22)17-14-20(10-12-21-13-11-20)18-7-5-4-6-16(17)18/h4-7,14-15,21H,3,8-13H2,1-2H3/t15-/m1/s1
InChIKeyVREZXPDEDPQXGB-OAHLLOKOSA-N
MW297.44 g/mol
LogP4.10
Rot. Bonds5

About (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one

(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one (PubChem CID 143604165) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
PubChem CID143604165
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one
SMILESCC[C@@H](C)CCC(=O)C1=CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C20H27NO/c1-3-15(2)8-9-19(22)17-14-20(10-12-21-13-11-20)18-7-5-4-6-16(17)18/h4-7,14-15,21H,3,8-13H2,1-2H3/t15-/m1/s1
InChIKeyVREZXPDEDPQXGB-OAHLLOKOSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97449030
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
ethane;1-spiro[3H-naphthalene-4,4'-piperidine]-1-ylethanone
CID 91052869
dichloromethane;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;methyl-[4-[3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-yl]piperidin-1-yl]borinic acid;N-pentan-3-yl-1'-piperidin-4-ylspiro[indene-3,4'-piperidine]-1-carboxamide;N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;prop-2-ynyl carbonochloridate
CID 160723746
tert-butyl 3-(pentan-3-ylcarbamoyl)spiro[indene-1,4'-piperidine]-1'-carboxylate
CID 59600632
1'-[1-(2-methylpropanoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 25012166
1'-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-pentan-3-ylspiro[indene-3,4'-piperidine]-1-carboxamide;molecular hydrogen
CID 157252350
9,9-bis[(5S)-5-methylheptyl]fluorene
CID 101194552
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
5-methylhept-1-en-2-ylbenzene
CID 90870775
1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
CID 82289312
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one?
The IUPAC name of (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one (CID 143604165) is (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one.
What is the SMILES notation for (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one?
The canonical SMILES for (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one is CC[C@@H](C)CCC(=O)C1=CC2(CCNCC2)c2ccccc21.
What is the InChIKey of (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one?
The InChIKey is VREZXPDEDPQXGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-15(2)8-9-19(22)17-14-20(10-12-21-13-11-20)18-7-5-4-6-16(17)18/h4-7,14-15,21H,3,8-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one?
(4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one has a molecular weight of 297.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-spiro[indene-3,4'-piperidine]-1-ylhexan-1-one is sourced from PubChem (CID 143604165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).