N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide

C21H24ClN3O2 — CID 3220854

IUPACN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15-6-8-16(9-7-15)21(27)23-17-10-12-25(13-11-17)14-20(26)24-19-5-3-2-4-18(19)22/h2-9,17H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyAORHZFWHXMSIHS-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.48
Rot. Bonds5

About N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide

N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 3220854) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID3220854
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-15-6-8-16(9-7-15)21(27)23-17-10-12-25(13-11-17)14-20(26)24-19-5-3-2-4-18(19)22/h2-9,17H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyAORHZFWHXMSIHS-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide (CID 3220854) is N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is AORHZFWHXMSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-6-8-16(9-7-15)21(27)23-17-10-12-25(13-11-17)14-20(26)24-19-5-3-2-4-18(19)22/h2-9,17H,10-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide?
N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 3220854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).