4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C18H29N3O2 — CID 111464649

IUPAC4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)20(3)13-10-19-18(23)15-4-6-16(7-5-15)21-11-8-17(22)9-12-21/h4-7,14,17,22H,8-13H2,1-3H3,(H,19,23)
InChIKeyZOXBTLSCORRGBC-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.72
Rot. Bonds6

About 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 111464649) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID111464649
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)20(3)13-10-19-18(23)15-4-6-16(7-5-15)21-11-8-17(22)9-12-21/h4-7,14,17,22H,8-13H2,1-3H3,(H,19,23)
InChIKeyZOXBTLSCORRGBC-UHFFFAOYSA-N
XLogP1.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[(2-ethylphenyl)methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111540046
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111783320
4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane
CID 177357429
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
4-(4-hydroxypiperidin-1-yl)-N-(1-propylpiperidin-4-yl)benzamide
CID 111331639
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 111464649) is 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(C)CCNC(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is ZOXBTLSCORRGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)20(3)13-10-19-18(23)15-4-6-16(7-5-15)21-11-8-17(22)9-12-21/h4-7,14,17,22H,8-13H2,1-3H3,(H,19,23).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 319.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 111464649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).