N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide

C21H26N2OS — CID 10760626

IUPACN,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccs2)cc1
InChIInChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
InChIKeyRVBUOUGRRSNQSV-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.42
Rot. Bonds5

About N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide

N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide (PubChem CID 10760626) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide
PubChem CID10760626
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccs2)cc1
InChIInChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3
InChIKeyRVBUOUGRRSNQSV-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide (CID 10760626) is N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccs2)cc1.
What is the InChIKey of N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide?
The InChIKey is RVBUOUGRRSNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-23(4-2)21(24)18-9-7-16(8-10-18)20(19-6-5-15-25-19)17-11-13-22-14-12-17/h5-10,15,22H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide?
N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide has a molecular weight of 354.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[piperidin-4-ylidene(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 10760626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).