N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide

C26H29N3O2 — CID 26339854

IUPACN-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCC(NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O2/c30-26(20-31-25-9-5-2-6-10-25)28-23-11-13-24(14-12-23)29-17-15-22(16-18-29)27-19-21-7-3-1-4-8-21/h1-14,22,27H,15-20H2,(H,28,30)
InChIKeyHKACQKIXHNDXTQ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.46
Rot. Bonds8

About N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide

N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide (PubChem CID 26339854) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
PubChem CID26339854
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCC(NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H29N3O2/c30-26(20-31-25-9-5-2-6-10-25)28-23-11-13-24(14-12-23)29-17-15-22(16-18-29)27-19-21-7-3-1-4-8-21/h1-14,22,27H,15-20H2,(H,28,30)
InChIKeyHKACQKIXHNDXTQ-UHFFFAOYSA-N
XLogP4.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
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-[2-(3-fluorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 42276922
N-[4-[4-(1,4-dioxan-2-ylmethylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide
CID 45179218
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
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
N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 7105914
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1289050
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide (CID 26339854) is N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(N2CCC(NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is HKACQKIXHNDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-26(20-31-25-9-5-2-6-10-25)28-23-11-13-24(14-12-23)29-17-15-22(16-18-29)27-19-21-7-3-1-4-8-21/h1-14,22,27H,15-20H2,(H,28,30).
What are the key properties of N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide?
N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 415.54 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzylamino)piperidin-1-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 26339854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).