N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide

C16H25N3O — CID 79707370

IUPACN,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)16(20)11-13-3-5-15(6-4-13)18-12-14-7-9-17-10-8-14/h3-6,14,17-18H,7-12H2,1-2H3
InChIKeyQNTUXTNSBVBBIN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.73
Rot. Bonds5

About N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide

N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide (PubChem CID 79707370) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
PubChem CID79707370
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCC2CCNCC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)16(20)11-13-3-5-15(6-4-13)18-12-14-7-9-17-10-8-14/h3-6,14,17-18H,7-12H2,1-2H3
InChIKeyQNTUXTNSBVBBIN-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide (CID 79707370) is N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide is CN(C)C(=O)Cc1ccc(NCC2CCNCC2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide?
The InChIKey is QNTUXTNSBVBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)16(20)11-13-3-5-15(6-4-13)18-12-14-7-9-17-10-8-14/h3-6,14,17-18H,7-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide?
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 79707370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).