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

C18H28N4O2 — CID 110890870

IUPAC3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N4O2/c1-14-12-15(21-10-8-20(2)9-11-21)5-6-17(14)19-18(24)22-7-3-4-16(23)13-22/h5-6,12,16,23H,3-4,7-11,13H2,1-2H3,(H,19,24)
InChIKeySIRVJFVKKYLXOU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.74
Rot. Bonds2

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

3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 110890870) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID110890870
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N4O2/c1-14-12-15(21-10-8-20(2)9-11-21)5-6-17(14)19-18(24)22-7-3-4-16(23)13-22/h5-6,12,16,23H,3-4,7-11,13H2,1-2H3,(H,19,24)
InChIKeySIRVJFVKKYLXOU-UHFFFAOYSA-N
XLogP1.74
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.74
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

(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 111102213
(3R)-N-(4-tert-butylsulfanyl-2-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 95330022
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)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94029173
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (CID 110890870) is 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is SIRVJFVKKYLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-12-15(21-10-8-20(2)9-11-21)5-6-17(14)19-18(24)22-7-3-4-16(23)13-22/h5-6,12,16,23H,3-4,7-11,13H2,1-2H3,(H,19,24).
What are the key properties of 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 110890870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).