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

N-methyl-N-(2-piperidin-1-ylethyl)-4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 123142315
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
CID 111911911
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111538804
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384

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).