N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide

C16H22N2O3 — CID 107725344

IUPACN-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(O)ccc1O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22N2O3/c19-13-6-7-15(20)14(9-13)16(21)18(12-4-5-12)10-11-3-1-2-8-17-11/h6-7,9,11-12,17,19-20H,1-5,8,10H2
InChIKeyTUEZEZASXPDJEO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds4

About N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide

N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 107725344) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
PubChem CID107725344
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(O)ccc1O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H22N2O3/c19-13-6-7-15(20)14(9-13)16(21)18(12-4-5-12)10-11-3-1-2-8-17-11/h6-7,9,11-12,17,19-20H,1-5,8,10H2
InChIKeyTUEZEZASXPDJEO-UHFFFAOYSA-N
XLogP1.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106599315
N-cyclopropyl-2-hydroxy-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627042
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
4-chloro-N-cyclopropyl-2-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626825
N-cyclopropyl-3-hydroxy-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 106626974
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
5-bromo-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 107730032
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide (CID 107725344) is N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide is O=C(c1cc(O)ccc1O)N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is TUEZEZASXPDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-6-7-15(20)14(9-13)16(21)18(12-4-5-12)10-11-3-1-2-8-17-11/h6-7,9,11-12,17,19-20H,1-5,8,10H2.
What are the key properties of N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide?
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 107725344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).