3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

C17H26N2O2 — CID 79701981

IUPAC3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1O
InChIInChI=1S/C17H26N2O2/c1-12(2)19(11-14-6-8-18-9-7-14)17(21)15-5-4-13(3)16(20)10-15/h4-5,10,12,14,18,20H,6-9,11H2,1-3H3
InChIKeyGNOJVOHOAMVSDU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds4

About 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 79701981) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID79701981
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1O
InChIInChI=1S/C17H26N2O2/c1-12(2)19(11-14-6-8-18-9-7-14)17(21)15-5-4-13(3)16(20)10-15/h4-5,10,12,14,18,20H,6-9,11H2,1-3H3
InChIKeyGNOJVOHOAMVSDU-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
5-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 104786254
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 106862275
2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 79701981) is 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC2CCNCC2)C(C)C)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is GNOJVOHOAMVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)19(11-14-6-8-18-9-7-14)17(21)15-5-4-13(3)16(20)10-15/h4-5,10,12,14,18,20H,6-9,11H2,1-3H3.
What are the key properties of 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 79701981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).