2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide

C28H39N3O3 — CID 18380702

IUPAC2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
SMILESCC(C)CN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CCC(C)C(N)=O)CC1
InChIInChI=1S/C28H39N3O3/c1-21(2)19-31(24-10-12-26(13-11-24)34-20-23-7-5-4-6-8-23)25-15-17-30(18-16-25)27(32)14-9-22(3)28(29)33/h4-8,10-13,21-22,25H,9,14-20H2,1-3H3,(H2,29,33)
InChIKeyUFLYVMFWZOYEFZ-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.62
Rot. Bonds11

About 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide

2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide (PubChem CID 18380702) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide.

Molecular Properties

Compound Name2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
PubChem CID18380702
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
SMILESCC(C)CN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CCC(C)C(N)=O)CC1
InChIInChI=1S/C28H39N3O3/c1-21(2)19-31(24-10-12-26(13-11-24)34-20-23-7-5-4-6-8-23)25-15-17-30(18-16-25)27(32)14-9-22(3)28(29)33/h4-8,10-13,21-22,25H,9,14-20H2,1-3H3,(H2,29,33)
InChIKeyUFLYVMFWZOYEFZ-UHFFFAOYSA-N
XLogP4.62
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.62
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

2-methyl-5-[4-[[N-(3-methylbutyl)-4-phenylmethoxyanilino]methyl]piperidin-1-yl]-5-oxopentanamide
CID 18380845
3-methyl-5-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 70065608
5-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-3-methyl-5-oxopentanamide
CID 70064602
N-[4-methyl-1-[3-[N-(3-methylbutyl)-4-phenylmethoxyanilino]pyrrolidin-1-yl]-1-oxopentan-2-yl]azepane-1-carboxamide
CID 90975181
1-(2-amino-4-methylpentyl)-N-(3-methylbutyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 18380852
3-[4-[N-(2-methylpropyl)anilino]piperidin-1-yl]-3-oxo-N-(4-phenylphenyl)propanamide
CID 91201568
N-[(2S)-2-[4-[N-(3-hydroxybutyl)-4-phenylmethoxyanilino]piperidine-1-carbonyl]-3-methylbutyl]azepane-1-carboxamide
CID 101042063
N-[1-[4-(N-cyclohexyl-4-phenylmethoxyanilino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 70064708
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
CID 70391991
1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 54352355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide?
The IUPAC name of 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide (CID 18380702) is 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide.
What is the SMILES notation for 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide?
The canonical SMILES for 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide is CC(C)CN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CCC(C)C(N)=O)CC1.
What is the InChIKey of 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide?
The InChIKey is UFLYVMFWZOYEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-21(2)19-31(24-10-12-26(13-11-24)34-20-23-7-5-4-6-8-23)25-15-17-30(18-16-25)27(32)14-9-22(3)28(29)33/h4-8,10-13,21-22,25H,9,14-20H2,1-3H3,(H2,29,33).
What are the key properties of 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide?
2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide has a molecular weight of 465.64 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide is sourced from PubChem (CID 18380702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).