(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide

C17H26N4O2 — CID 111102213

IUPAC(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C17H26N4O2/c1-13-11-14(20-9-7-19(2)8-10-20)3-4-16(13)18-17(23)21-6-5-15(22)12-21/h3-4,11,15,22H,5-10,12H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeyZEBXATVQYVFMIQ-OAHLLOKOSA-N
MW318.42 g/mol
LogP1.35
Rot. Bonds2

About (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111102213) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID111102213
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C17H26N4O2/c1-13-11-14(20-9-7-19(2)8-10-20)3-4-16(13)18-17(23)21-6-5-15(22)12-21/h3-4,11,15,22H,5-10,12H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeyZEBXATVQYVFMIQ-OAHLLOKOSA-N
XLogP1.35
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 110890870
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94182334
[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 169357403
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94029173
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide (CID 111102213) is (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ZEBXATVQYVFMIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-11-14(20-9-7-19(2)8-10-20)3-4-16(13)18-17(23)21-6-5-15(22)12-21/h3-4,11,15,22H,5-10,12H2,1-2H3,(H,18,23)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).