2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide

C16H24N2O3 — CID 106628169

IUPAC2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-4-8-17-10-12)16(21)13-6-3-7-14(19)15(13)20/h3,6-7,12,17,19-20H,2,4-5,8-11H2,1H3
InChIKeyFOAWYVMRESCTHM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide

2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide (PubChem CID 106628169) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
PubChem CID106628169
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCNC1)C(=O)c1cccc(O)c1O
InChIInChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-4-8-17-10-12)16(21)13-6-3-7-14(19)15(13)20/h3,6-7,12,17,19-20H,2,4-5,8-11H2,1H3
InChIKeyFOAWYVMRESCTHM-UHFFFAOYSA-N
XLogP1.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628436
4-fluoro-2-hydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107016147
6-methyl-N-(piperidin-3-ylmethyl)-N-propylpyridine-2-carboxamide
CID 106628314
5-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106628225
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
CID 106628072
N-(piperidin-3-ylmethyl)-N-propyl-1H-1,2,4-triazole-5-carboxamide
CID 106628118
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
4-bromo-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 106628202

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide (CID 106628169) is 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCNC1)C(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
The InChIKey is FOAWYVMRESCTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-4-8-17-10-12)16(21)13-6-3-7-14(19)15(13)20/h3,6-7,12,17,19-20H,2,4-5,8-11H2,1H3.
What are the key properties of 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide?
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106628169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).