4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide

C20H26N6O2 — CID 55809308

IUPAC4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H26N6O2/c27-18-7-2-1-6-17(18)24-11-13-25(14-12-24)20(28)23-16-5-3-10-26(15-16)19-21-8-4-9-22-19/h1-2,4,6-9,16,27H,3,5,10-15H2,(H,23,28)
InChIKeyYFIGLUKBCSQFHV-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.68
Rot. Bonds3

About 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide (PubChem CID 55809308) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide
PubChem CID55809308
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H26N6O2/c27-18-7-2-1-6-17(18)24-11-13-25(14-12-24)20(28)23-16-5-3-10-26(15-16)19-21-8-4-9-22-19/h1-2,4,6-9,16,27H,3,5,10-15H2,(H,23,28)
InChIKeyYFIGLUKBCSQFHV-UHFFFAOYSA-N
XLogP1.68
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-(1-benzylpiperidin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119066540
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3S)-N-phenyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 97226290
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide (CID 55809308) is 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide?
The InChIKey is YFIGLUKBCSQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-18-7-2-1-6-17(18)24-11-13-25(14-12-24)20(28)23-16-5-3-10-26(15-16)19-21-8-4-9-22-19/h1-2,4,6-9,16,27H,3,5,10-15H2,(H,23,28).
What are the key properties of 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).