N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide

C23H26ClN3O2 — CID 42047243

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-18-8-6-17(7-9-18)23(12-13-23)22(29)26-20-10-14-27(15-11-20)16-21(28)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,28)(H,26,29)
InChIKeyKQVMYOOSMVEOHC-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.59
Rot. Bonds6

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 42047243) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID42047243
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-18-8-6-17(7-9-18)23(12-13-23)22(29)26-20-10-14-27(15-11-20)16-21(28)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,28)(H,26,29)
InChIKeyKQVMYOOSMVEOHC-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 42047243) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide is O=C(CN1CCC(NC(=O)C2(c3ccc(Cl)cc3)CC2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is KQVMYOOSMVEOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-18-8-6-17(7-9-18)23(12-13-23)22(29)26-20-10-14-27(15-11-20)16-21(28)25-19-4-2-1-3-5-19/h1-9,20H,10-16H2,(H,25,28)(H,26,29).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42047243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).