N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide

C24H31N3O4 — CID 45179218

IUPACN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c28-24(18-31-22-4-2-1-3-5-22)26-20-6-8-21(9-7-20)27-12-10-19(11-13-27)25-16-23-17-29-14-15-30-23/h1-9,19,23,25H,10-18H2,(H,26,28)
InChIKeyHHLBYXRBGPNJAB-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.68
Rot. Bonds8

About N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide

N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide (PubChem CID 45179218) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
PubChem CID45179218
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1
InChIInChI=1S/C24H31N3O4/c28-24(18-31-22-4-2-1-3-5-22)26-20-6-8-21(9-7-20)27-12-10-19(11-13-27)25-16-23-17-29-14-15-30-23/h1-9,19,23,25H,10-18H2,(H,26,28)
InChIKeyHHLBYXRBGPNJAB-UHFFFAOYSA-N
XLogP2.68
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-3-phenylpropanamide
CID 45177864
N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 26339854
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-[4-[4-[2-(3-fluorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 42276922
ethyl 4-[4-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42372087
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide (CID 45179218) is N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCC(NCC3COCCO3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is HHLBYXRBGPNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-24(18-31-22-4-2-1-3-5-22)26-20-6-8-21(9-7-20)27-12-10-19(11-13-27)25-16-23-17-29-14-15-30-23/h1-9,19,23,25H,10-18H2,(H,26,28).
What are the key properties of N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 425.53 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 45179218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).