N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide

C16H20Cl2N2O2 — CID 108558507

IUPACN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O2/c1-10(2)15(21)19-12-5-7-20(8-6-12)16(22)13-9-11(17)3-4-14(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21)
InChIKeyLZUSOHDLFNNWBR-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.37
Rot. Bonds3

About N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 108558507) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID108558507
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O2/c1-10(2)15(21)19-12-5-7-20(8-6-12)16(22)13-9-11(17)3-4-14(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21)
InChIKeyLZUSOHDLFNNWBR-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551181
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108553848
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
(2,5-dichlorophenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82250052
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide (CID 108558507) is N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is LZUSOHDLFNNWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-10(2)15(21)19-12-5-7-20(8-6-12)16(22)13-9-11(17)3-4-14(13)18/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 343.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 108558507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).