N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide

C17H26N2O2 — CID 111464498

IUPACN-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-13(2)18(3)17(21)14-5-7-15(8-6-14)19-11-9-16(20)10-12-19/h5-8,13,16,20H,4,9-12H2,1-3H3
InChIKeyGXMLZLJAMKBRBI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.52
Rot. Bonds4

About N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide

N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide (PubChem CID 111464498) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
PubChem CID111464498
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-13(2)18(3)17(21)14-5-7-15(8-6-14)19-11-9-16(20)10-12-19/h5-8,13,16,20H,4,9-12H2,1-3H3
InChIKeyGXMLZLJAMKBRBI-UHFFFAOYSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111911911
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111538804
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
2-[[4-(4-ethylpiperazin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119359026
methyl 4-[butan-2-yl(methyl)carbamoyl]benzoate
CID 75414326
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide (CID 111464498) is N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide is CCC(C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide?
The InChIKey is GXMLZLJAMKBRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13(2)18(3)17(21)14-5-7-15(8-6-14)19-11-9-16(20)10-12-19/h5-8,13,16,20H,4,9-12H2,1-3H3.
What are the key properties of N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide?
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 111464498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).