4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

C18H26Cl2N2O — CID 55883971

IUPAC4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCC1CCN(CCNC(=O)CCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-14-7-10-22(11-8-14)12-9-21-18(23)4-2-3-15-5-6-16(19)17(20)13-15/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,23)
InChIKeyZOCXAGLGEFKRDF-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.16
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (PubChem CID 55883971) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
PubChem CID55883971
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCC1CCN(CCNC(=O)CCCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-14-7-10-22(11-8-14)12-9-21-18(23)4-2-3-15-5-6-16(19)17(20)13-15/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,23)
InChIKeyZOCXAGLGEFKRDF-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 47036203
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605
3-(3,4-dichlorophenyl)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100596826
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 46971806
3-(3,4-dichlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 110301281
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
4-(3,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119462608

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (CID 55883971) is 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is CC1CCN(CCNC(=O)CCCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The InChIKey is ZOCXAGLGEFKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-14-7-10-22(11-8-14)12-9-21-18(23)4-2-3-15-5-6-16(19)17(20)13-15/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,23).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide has a molecular weight of 357.33 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 55883971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).