N,N,3-trimethyl-4-piperidin-4-ylbenzamide

C15H22N2O — CID 70330604

IUPACN,N,3-trimethyl-4-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyXFWBOGTZEHHQPN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.16
Rot. Bonds2

About N,N,3-trimethyl-4-piperidin-4-ylbenzamide

N,N,3-trimethyl-4-piperidin-4-ylbenzamide (PubChem CID 70330604) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N,3-trimethyl-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-piperidin-4-ylbenzamide
PubChem CID70330604
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN,N,3-trimethyl-4-piperidin-4-ylbenzamide
SMILESCc1cc(C(=O)N(C)C)ccc1C1CCNCC1
InChIInChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3
InChIKeyXFWBOGTZEHHQPN-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-piperidin-4-ylbenzamide?
The IUPAC name of N,N,3-trimethyl-4-piperidin-4-ylbenzamide (CID 70330604) is N,N,3-trimethyl-4-piperidin-4-ylbenzamide.
What is the SMILES notation for N,N,3-trimethyl-4-piperidin-4-ylbenzamide?
The canonical SMILES for N,N,3-trimethyl-4-piperidin-4-ylbenzamide is Cc1cc(C(=O)N(C)C)ccc1C1CCNCC1.
What is the InChIKey of N,N,3-trimethyl-4-piperidin-4-ylbenzamide?
The InChIKey is XFWBOGTZEHHQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-13(15(18)17(2)3)4-5-14(11)12-6-8-16-9-7-12/h4-5,10,12,16H,6-9H2,1-3H3.
What are the key properties of N,N,3-trimethyl-4-piperidin-4-ylbenzamide?
N,N,3-trimethyl-4-piperidin-4-ylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 70330604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).