N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C19H28ClN3O2 — CID 4880320

IUPACN-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC1CC(C)CN(C(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C19H28ClN3O2/c1-13-9-14(2)11-23(10-13)19(25)15(3)22(4)12-18(24)21-17-8-6-5-7-16(17)20/h5-8,13-15H,9-12H2,1-4H3,(H,21,24)
InChIKeySLULECIGAGNPAH-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.10
Rot. Bonds5

About N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 4880320) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID4880320
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC1CC(C)CN(C(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C19H28ClN3O2/c1-13-9-14(2)11-23(10-13)19(25)15(3)22(4)12-18(24)21-17-8-6-5-7-16(17)20/h5-8,13-15H,9-12H2,1-4H3,(H,21,24)
InChIKeySLULECIGAGNPAH-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Nbd-556
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CID 58616
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CID 70679349
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
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CID 2115027

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 4880320) is N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is CC1CC(C)CN(C(=O)C(C)N(C)CC(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is SLULECIGAGNPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-13-9-14(2)11-23(10-13)19(25)15(3)22(4)12-18(24)21-17-8-6-5-7-16(17)20/h5-8,13-15H,9-12H2,1-4H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 365.91 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 4880320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).