5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide

C30H41N3O3 — CID 70064602

IUPAC5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCC(N(c2ccc(OCc3ccccc3)cc2)C2CCCCC2)CC1
InChIInChI=1S/C30H41N3O3/c1-23(20-29(31)34)21-30(35)32-18-16-27(17-19-32)33(25-10-6-3-7-11-25)26-12-14-28(15-13-26)36-22-24-8-4-2-5-9-24/h2,4-5,8-9,12-15,23,25,27H,3,6-7,10-11,16-22H2,1H3,(H2,31,34)
InChIKeyDVVFPDBRTWYXAE-UHFFFAOYSA-N
MW491.68 g/mol
LogP5.30
Rot. Bonds10

About 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide

5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide (PubChem CID 70064602) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide
PubChem CID70064602
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC Name5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCC(N(c2ccc(OCc3ccccc3)cc2)C2CCCCC2)CC1
InChIInChI=1S/C30H41N3O3/c1-23(20-29(31)34)21-30(35)32-18-16-27(17-19-32)33(25-10-6-3-7-11-25)26-12-14-28(15-13-26)36-22-24-8-4-2-5-9-24/h2,4-5,8-9,12-15,23,25,27H,3,6-7,10-11,16-22H2,1H3,(H2,31,34)
InChIKeyDVVFPDBRTWYXAE-UHFFFAOYSA-N
XLogP5.30
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 70065608
N-[1-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 70064708
2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 18380702
2-methyl-5-[4-[[N-(3-methylbutyl)-4-phenylmethoxyanilino]methyl]piperidin-1-yl]-5-oxopentanamide
CID 18380845
3-amino-1-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119728405
1-[2-(N-cyclopropyl-4-phenylmethoxyanilino)-4-methylpiperazin-1-yl]propan-1-one
CID 174793617
benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
N-[4-methyl-1-[3-[N-(3-methylbutyl)-4-phenylmethoxyanilino]pyrrolidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide
CID 90975181
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
N-[(2S)-2-[4-[N-(3-hydroxybutyl)-4-phenylmethoxyanilino]piperidine-1-carbonyl]-3-methylbutyl]azepane-1-carboxamide
CID 101042063

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide?
The IUPAC name of 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide (CID 70064602) is 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide?
The canonical SMILES for 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide is CC(CC(N)=O)CC(=O)N1CCC(N(c2ccc(OCc3ccccc3)cc2)C2CCCCC2)CC1.
What is the InChIKey of 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide?
The InChIKey is DVVFPDBRTWYXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c1-23(20-29(31)34)21-30(35)32-18-16-27(17-19-32)33(25-10-6-3-7-11-25)26-12-14-28(15-13-26)36-22-24-8-4-2-5-9-24/h2,4-5,8-9,12-15,23,25,27H,3,6-7,10-11,16-22H2,1H3,(H2,31,34).
What are the key properties of 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide?
5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide has a molecular weight of 491.68 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 70064602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).