3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide

C29H43N3O2 — CID 134171255

IUPAC3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](NC(=O)C(CC1CCCCC1)NC)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C29H43N3O2/c1-4-21(2)26(31-27(33)25(30-3)20-22-10-6-5-7-11-22)28(34)32-18-16-29(17-19-32)15-14-23-12-8-9-13-24(23)29/h8-9,12-15,21-22,25-26,30H,4-7,10-11,16-20H2,1-3H3,(H,31,33)/t21-,25?,26+/m0/s1
InChIKeyOGXTWLDHFIUTCB-PYOKFVPOSA-N
MW465.68 g/mol
LogP4.66
Rot. Bonds8

About 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide

3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide (PubChem CID 134171255) has the molecular formula C29H43N3O2 and a molecular weight of 465.68 g/mol. Its IUPAC name is 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide
PubChem CID134171255
Molecular FormulaC29H43N3O2
Molecular Weight465.68 g/mol
Exact Mass465.34
IUPAC Name3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide
SMILESCC[C@H](C)[C@@H](NC(=O)C(CC1CCCCC1)NC)C(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C29H43N3O2/c1-4-21(2)26(31-27(33)25(30-3)20-22-10-6-5-7-11-22)28(34)32-18-16-29(17-19-32)15-14-23-12-8-9-13-24(23)29/h8-9,12-15,21-22,25-26,30H,4-7,10-11,16-20H2,1-3H3,(H,31,33)/t21-,25?,26+/m0/s1
InChIKeyOGXTWLDHFIUTCB-PYOKFVPOSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.68
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-amino-N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-4,5-dihydro-1H-imidazole-4-carboxamide
CID 137289937
(2S)-3-cyclohexyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanamide
CID 134138552
2-amino-3,3-dimethyl-N-[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]butanamide
CID 130206548
N-[(2S,5S,6S)-1-cyclohexyl-6-methyl-3-oxo-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)octan-2-yl]-N-methyl-1,2-oxazole-5-carboxamide
CID 153221313
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640042
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[4-(3-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640175
N-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 134138592
2-[3-[1-(3-cyclohexyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-2-yl)-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
CID 74990008
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[3-(2-fluoroanilino)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640248
trans-(1R,2R)-2-spiro[indene-1,4'-piperidine]-1'-ylcyclohexan-1-ol
CID 10039489
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide
CID 119543875

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide?
The IUPAC name of 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide (CID 134171255) is 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide is CC[C@H](C)[C@@H](NC(=O)C(CC1CCCCC1)NC)C(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide?
The InChIKey is OGXTWLDHFIUTCB-PYOKFVPOSA-N. The full InChI is InChI=1S/C29H43N3O2/c1-4-21(2)26(31-27(33)25(30-3)20-22-10-6-5-7-11-22)28(34)32-18-16-29(17-19-32)15-14-23-12-8-9-13-24(23)29/h8-9,12-15,21-22,25-26,30H,4-7,10-11,16-20H2,1-3H3,(H,31,33)/t21-,25?,26+/m0/s1.
What are the key properties of 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide?
3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide has a molecular weight of 465.68 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(methylamino)-N-[(2R,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]propanamide is sourced from PubChem (CID 134171255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).