N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide

C21H23Cl2N3O2 — CID 58378262

IUPACN-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O2/c22-17-13-24-14-18(23)20(17)26-11-8-15(9-12-26)19(27)7-4-10-25-21(28)16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,25,28)
InChIKeyLAOLDEIOESVAAM-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide

N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide (PubChem CID 58378262) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
PubChem CID58378262
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O2/c22-17-13-24-14-18(23)20(17)26-11-8-15(9-12-26)19(27)7-4-10-25-21(28)16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,25,28)
InChIKeyLAOLDEIOESVAAM-UHFFFAOYSA-N
XLogP4.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Daporinad
CID 6914657
Benzamide, 2-chloro-N-4-pyridinyl-
CID 5121684
N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
2,6-dichloro-N-(pyridin-4-yl)benzamide
CID 3120536
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)isonicotinamide
CID 45560581
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127026808
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]benzamide
CID 164610738
2-chloro-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
CID 27700310
4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10253863
[4-[[(4-Chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10669405
(3,4-Dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
CID 10691033

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide (CID 58378262) is N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide is O=C(NCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide?
The InChIKey is LAOLDEIOESVAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c22-17-13-24-14-18(23)20(17)26-11-8-15(9-12-26)19(27)7-4-10-25-21(28)16-5-2-1-3-6-16/h1-3,5-6,13-15H,4,7-12H2,(H,25,28).
What are the key properties of N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide?
N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide has a molecular weight of 420.34 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]benzamide is sourced from PubChem (CID 58378262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).