2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide

C15H23N3O2 — CID 62654732

IUPAC2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
SMILESCN1CCCC(CNc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-18-8-2-3-12(10-18)9-17-13-4-6-14(7-5-13)20-11-15(16)19/h4-7,12,17H,2-3,8-11H2,1H3,(H2,16,19)
InChIKeyHPTTXWVVSPUDDT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds6

About 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide

2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide (PubChem CID 62654732) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
PubChem CID62654732
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
SMILESCN1CCCC(CNc2ccc(OCC(N)=O)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-18-8-2-3-12(10-18)9-17-13-4-6-14(7-5-13)20-11-15(16)19/h4-7,12,17H,2-3,8-11H2,1H3,(H2,16,19)
InChIKeyHPTTXWVVSPUDDT-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
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-[3-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62658835
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
3-[4-(cyclohexylmethylamino)phenoxy]propanamide
CID 43676559
[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
CID 62657533
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
tert-butyl N-[5-[(1-methylpiperidin-3-yl)methylamino]-2-pyridinyl]carbamate
CID 107243166
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide (CID 62654732) is 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide is CN1CCCC(CNc2ccc(OCC(N)=O)cc2)C1.
What is the InChIKey of 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
The InChIKey is HPTTXWVVSPUDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-8-2-3-12(10-18)9-17-13-4-6-14(7-5-13)20-11-15(16)19/h4-7,12,17H,2-3,8-11H2,1H3,(H2,16,19).
What are the key properties of 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide?
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 62654732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).