4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

C29H37N3O2 — CID 11487995

IUPAC4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)C2CCCC2)cc1
InChIInChI=1S/C29H37N3O2/c1-3-32(4-2)29(34)24-15-13-21(14-16-24)27(22-17-19-30-20-18-22)25-11-7-8-12-26(25)31-28(33)23-9-5-6-10-23/h7-8,11-16,23,30H,3-6,9-10,17-20H2,1-2H3,(H,31,33)
InChIKeyPESZFSRRIGHFLV-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.48
Rot. Bonds7

About 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (PubChem CID 11487995) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
PubChem CID11487995
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)C2CCCC2)cc1
InChIInChI=1S/C29H37N3O2/c1-3-32(4-2)29(34)24-15-13-21(14-16-24)27(22-17-19-30-20-18-22)25-11-7-8-12-26(25)31-28(33)23-9-5-6-10-23/h7-8,11-16,23,30H,3-6,9-10,17-20H2,1-2H3,(H,31,33)
InChIKeyPESZFSRRIGHFLV-UHFFFAOYSA-N
XLogP5.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(2-hydrazinylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 142966960
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfanylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 142966947
N,N-diethyl-4-[phenyl(piperidin-4-ylidene)methyl]benzamide;hydrochloride
CID 76848958
N,N-diethyl-4-[[2-[(2-fluorophenyl)sulfonylamino]phenyl]-piperidin-4-ylidenemethyl]benzamide
CID 11421066
N,N-diethyl-4-[(2-phenylmethoxyphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 11293990
N-[2-(ethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119284316
4-[[2-[N-(aminomethyl)anilino]phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide
CID 174490910
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
N,N-diethyl-4-[(4-formylphenyl)-piperidin-4-ylidenemethyl]benzamide
CID 23435917
4-[1-benzofuran-2-yl(piperidin-4-ylidene)methyl]-N,N-diethylbenzamide
CID 23435896
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
methyl N-[2-[[4-(diethylcarbamoyl)phenyl]-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]methyl]phenyl]carbamate
CID 11191502

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide (CID 11487995) is 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2NC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
The InChIKey is PESZFSRRIGHFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-3-32(4-2)29(34)24-15-13-21(14-16-24)27(22-17-19-30-20-18-22)25-11-7-8-12-26(25)31-28(33)23-9-5-6-10-23/h7-8,11-16,23,30H,3-6,9-10,17-20H2,1-2H3,(H,31,33).
What are the key properties of 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide?
4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide has a molecular weight of 459.63 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentanecarbonylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 11487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).