1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C20H29Cl2N3O2 — CID 56526511

IUPAC1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H29Cl2N3O2/c1-13(2)14(3)23-20(27)15-6-9-25(10-7-15)11-8-19(26)24-18-12-16(21)4-5-17(18)22/h4-5,12-15H,6-11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBVKKRZGEAYRXAZ-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.19
Rot. Bonds7

About 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 56526511) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID56526511
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H29Cl2N3O2/c1-13(2)14(3)23-20(27)15-6-9-25(10-7-15)11-8-19(26)24-18-12-16(21)4-5-17(18)22/h4-5,12-15H,6-11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyBVKKRZGEAYRXAZ-UHFFFAOYSA-N
XLogP4.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526502
1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100569696
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(2,5-dichlorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63263797
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,5-dichlorophenyl)propanamide
CID 119927708
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(2,5-dichlorophenyl)-3-[4-(phenylcarbamoylamino)piperidin-1-yl]propanamide
CID 56525983
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,5-dichlorophenyl)propanamide;hydrochloride
CID 120728374

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 56526511) is 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is BVKKRZGEAYRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O2/c1-13(2)14(3)23-20(27)15-6-9-25(10-7-15)11-8-19(26)24-18-12-16(21)4-5-17(18)22/h4-5,12-15H,6-11H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56526511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).