1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

C16H22ClN3O2 — CID 883576

IUPAC1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-13(17)3-2-4-14(11)19-15(21)7-10-20-8-5-12(6-9-20)16(18)22/h2-4,12H,5-10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyPOSNGDLBTYORSA-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.17
Rot. Bonds5

About 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 883576) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID883576
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-13(17)3-2-4-14(11)19-15(21)7-10-20-8-5-12(6-9-20)16(18)22/h2-4,12H,5-10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyPOSNGDLBTYORSA-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 883576) is 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)CCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is POSNGDLBTYORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-13(17)3-2-4-14(11)19-15(21)7-10-20-8-5-12(6-9-20)16(18)22/h2-4,12H,5-10H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 883576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).