2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C16H24N2O3 — CID 106625817

IUPAC2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-3-4-8-17-12)16(21)14-7-6-13(19)10-15(14)20/h6-7,10,12,17,19-20H,2-5,8-9,11H2,1H3
InChIKeyDBUXYGVJBFCBPD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.09
Rot. Bonds5

About 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide

2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 106625817) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID106625817
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-3-4-8-17-12)16(21)14-7-6-13(19)10-15(14)20/h6-7,10,12,17,19-20H,2-5,8-9,11H2,1H3
InChIKeyDBUXYGVJBFCBPD-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541
4-fluoro-2-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107016129

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 106625817) is 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is DBUXYGVJBFCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-9-18(11-12-5-3-4-8-17-12)16(21)14-7-6-13(19)10-15(14)20/h6-7,10,12,17,19-20H,2-5,8-9,11H2,1H3.
What are the key properties of 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106625817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).