3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide

C15H21ClN2O — CID 110463788

IUPAC3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H21ClN2O/c1-11-13(5-4-6-14(11)16)15(19)18(3)12-7-9-17(2)10-8-12/h4-6,12H,7-10H2,1-3H3
InChIKeyNFTVFWXWCSMGMH-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.81
Rot. Bonds2

About 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide

3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 110463788) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID110463788
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C15H21ClN2O/c1-11-13(5-4-6-14(11)16)15(19)18(3)12-7-9-17(2)10-8-12/h4-6,12H,7-10H2,1-3H3
InChIKeyNFTVFWXWCSMGMH-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
3-amino-N,2-dimethyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139109
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
propan-2-yl N'-(2-chlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 4664400
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 61092236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide (CID 110463788) is 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide is Cc1c(Cl)cccc1C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is NFTVFWXWCSMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-13(5-4-6-14(11)16)15(19)18(3)12-7-9-17(2)10-8-12/h4-6,12H,7-10H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide?
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 110463788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).