N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide

C18H22N4O2 — CID 86793401

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-11-14(2)19-17(12-13)20-18(24)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,20,24)
InChIKeyVACLFHIPODUQHM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide (PubChem CID 86793401) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
PubChem CID86793401
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-11-14(2)19-17(12-13)20-18(24)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,20,24)
InChIKeyVACLFHIPODUQHM-UHFFFAOYSA-N
XLogP2.76
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
N-(4,6-dimethyl-2-pyridinyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86793381
4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
4-(3-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 138043019
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112475
(3S,4S)-1-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090007
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide (CID 86793401) is N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide is Cc1cc(C)nc(NC(=O)N2CCN(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
The InChIKey is VACLFHIPODUQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-14(2)19-17(12-13)20-18(24)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-12,23H,7-10H2,1-2H3,(H,19,20,24).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 86793401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).