4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide

C15H23N3O2 — CID 114677740

IUPAC4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
SMILESCC1CN(c2cc(N)ccc2C(=O)N(C)C)CCC1O
InChIInChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)13-8-11(16)4-5-12(13)15(20)17(2)3/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3
InChIKeyFLNSDSWLWAXELV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds2

About 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide

4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide (PubChem CID 114677740) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
PubChem CID114677740
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
SMILESCC1CN(c2cc(N)ccc2C(=O)N(C)C)CCC1O
InChIInChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)13-8-11(16)4-5-12(13)15(20)17(2)3/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3
InChIKeyFLNSDSWLWAXELV-UHFFFAOYSA-N
XLogP1.18
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide (CID 114677740) is 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide is CC1CN(c2cc(N)ccc2C(=O)N(C)C)CCC1O.
What is the InChIKey of 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is FLNSDSWLWAXELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-9-18(7-6-14(10)19)13-8-11(16)4-5-12(13)15(20)17(2)3/h4-5,8,10,14,19H,6-7,9,16H2,1-3H3.
What are the key properties of 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 114677740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).