4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C15H21ClN2O — CID 43333302

IUPAC4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17-9-7-14(8-10-17)18(2)15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyUMNWYBNWGATGTI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.59
Rot. Bonds3

About 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 43333302) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID43333302
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(CCl)cc2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17-9-7-14(8-10-17)18(2)15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyUMNWYBNWGATGTI-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-isocyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 123781612
3,4-dihydroxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 103955316
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
N-methyl-N-(1-methylpiperidin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 123492991
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810624

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 43333302) is 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(CCl)cc2)CC1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is UMNWYBNWGATGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-9-7-14(8-10-17)18(2)15(19)13-5-3-12(11-16)4-6-13/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 43333302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).