3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide

C14H18Cl2N2O — CID 60806736

IUPAC3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(13-3-5-17-6-4-13)14(19)10-7-11(15)9-12(16)8-10/h7-9,13,17H,2-6H2,1H3
InChIKeyBXKQCMVNZIPFRG-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.21
Rot. Bonds3

About 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide

3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide (PubChem CID 60806736) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
PubChem CID60806736
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O/c1-2-18(13-3-5-17-6-4-13)14(19)10-7-11(15)9-12(16)8-10/h7-9,13,17H,2-6H2,1H3
InChIKeyBXKQCMVNZIPFRG-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60805388
3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65373058
N-ethyl-5-methyl-N-piperidin-4-yl-1,2-oxazole-3-carboxamide
CID 60805893
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650
N-ethyl-2,6-dihydroxy-N-piperidin-4-ylbenzamide
CID 107688542
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide (CID 60806736) is 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide is CCN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCNCC1.
What is the InChIKey of 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide?
The InChIKey is BXKQCMVNZIPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-18(13-3-5-17-6-4-13)14(19)10-7-11(15)9-12(16)8-10/h7-9,13,17H,2-6H2,1H3.
What are the key properties of 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide?
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide has a molecular weight of 301.22 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 60806736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).