4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C19H29N3O2 — CID 111430881

IUPAC4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-20(14-15-21-10-2-3-11-21)19(24)16-4-6-17(7-5-16)22-12-8-18(23)9-13-22/h4-7,18,23H,2-3,8-15H2,1H3
InChIKeyHATXFILGDVZEMV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.82
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 111430881) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID111430881
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-20(14-15-21-10-2-3-11-21)19(24)16-4-6-17(7-5-16)22-12-8-18(23)9-13-22/h4-7,18,23H,2-3,8-15H2,1H3
InChIKeyHATXFILGDVZEMV-UHFFFAOYSA-N
XLogP1.82
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
1-[4-(4-Benzoyl-piperazin-1-yl)-3-fluoro-phenyl]-butan-1-one
CID 613152
N,N-dimethyl-4-(pyrrolidine-1-carbonyl)aniline
CID 787022
ST037842
CID 609748
4-(4-Butyryl-2-fluoro-phenyl)-piperazine-1-carboxylic acid ethyl ester
CID 629485
1-[4-(4-Benzoylpiperazin-1-yl)phenyl]ethanone
CID 1245188
N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 3120528
ST051107
CID 1038481
1-(4-Acetylphenyl)pyrrolidin-2-one
CID 4962902
4-(4-Hydroxypiperidin-1-yl)benzaldehyde
CID 12717446

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 111430881) is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(CCN1CCCC1)C(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is HATXFILGDVZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20(14-15-21-10-2-3-11-21)19(24)16-4-6-17(7-5-16)22-12-8-18(23)9-13-22/h4-7,18,23H,2-3,8-15H2,1H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 111430881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).