N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide

C27H30N2O — CID 10620902

IUPACN,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
InChIKeyCPHAHFDIIAGWSH-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.51
Rot. Bonds5

About N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide

N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide (PubChem CID 10620902) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide
PubChem CID10620902
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3ccccc23)cc1
InChIInChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3
InChIKeyCPHAHFDIIAGWSH-UHFFFAOYSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Scriptaid
CID 5186
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N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
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CID 10130246
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
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CID 1220236

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide (CID 10620902) is N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide?
The InChIKey is CPHAHFDIIAGWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-3-29(4-2)27(30)23-14-12-21(13-15-23)26(22-16-18-28-19-17-22)25-11-7-9-20-8-5-6-10-24(20)25/h5-15,28H,3-4,16-19H2,1-2H3.
What are the key properties of N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide?
N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide has a molecular weight of 398.55 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[naphthalen-1-yl(piperidin-4-ylidene)methyl]benzamide is sourced from PubChem (CID 10620902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).