N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide

C28H37N3O3 — CID 1066466

IUPACN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)COCc3ccccc3)ccc2N2CCC(C)CC2)CC1
InChIInChI=1S/C28H37N3O3/c1-21-10-14-30(15-11-21)26-9-8-24(18-25(26)28(33)31-16-12-22(2)13-17-31)29-27(32)20-34-19-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17,19-20H2,1-2H3,(H,29,32)
InChIKeyRDUUCLYALASDTB-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.95
Rot. Bonds7

About N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide

N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide (PubChem CID 1066466) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
PubChem CID1066466
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
SMILESCC1CCN(C(=O)c2cc(NC(=O)COCc3ccccc3)ccc2N2CCC(C)CC2)CC1
InChIInChI=1S/C28H37N3O3/c1-21-10-14-30(15-11-21)26-9-8-24(18-25(26)28(33)31-16-12-22(2)13-17-31)29-27(32)20-34-19-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17,19-20H2,1-2H3,(H,29,32)
InChIKeyRDUUCLYALASDTB-UHFFFAOYSA-N
XLogP4.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
CID 1054058
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 1066469
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-[(2-phenylmethoxyacetyl)amino]benzamide
CID 42751459
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]-2-phenylsulfanylacetamide
CID 1066202
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenylmethoxyacetamide
CID 122299799
2-methyl-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066450
2-methoxy-N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066472
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
N-[4-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidine-1-carbonyl)phenyl]-4-fluorobenzamide
CID 4209218
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-phenylmethoxyacetamide
CID 42747286

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide (CID 1066466) is N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide is CC1CCN(C(=O)c2cc(NC(=O)COCc3ccccc3)ccc2N2CCC(C)CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide?
The InChIKey is RDUUCLYALASDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-21-10-14-30(15-11-21)26-9-8-24(18-25(26)28(33)31-16-12-22(2)13-17-31)29-27(32)20-34-19-23-6-4-3-5-7-23/h3-9,18,21-22H,10-17,19-20H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide?
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide has a molecular weight of 463.62 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 1066466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).