4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid

C19H24N4O2 — CID 67757514

IUPAC4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid
SMILESO=C(O)CCCNc1ccnc(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O2/c24-18(25)7-4-11-20-17-8-12-21-19(22-17)23-13-9-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,24,25)(H,20,21,22)
InChIKeyVVWPMABGXVWKII-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.14
Rot. Bonds7

About 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid

4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid (PubChem CID 67757514) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid
PubChem CID67757514
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid
SMILESO=C(O)CCCNc1ccnc(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N4O2/c24-18(25)7-4-11-20-17-8-12-21-19(22-17)23-13-9-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,24,25)(H,20,21,22)
InChIKeyVVWPMABGXVWKII-UHFFFAOYSA-N
XLogP3.14
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
N-{[1-(3-phenylpropyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109401
4-[3-(2-Phenylethyl)-1-piperidinyl]-2-pyrimidinamine
CID 56902535
2-(4-{[(1R,2S)-2-phenylcyclopropyl]amino}piperidin-1-yl)pyrimidin-4-amine
CID 118290492
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 3223155
Phenethyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 16109388
N-benzyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 46891058
CID 49797232
CID 49797232
(3R,4R)-1-pyrimidin-2-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 49797233
3-[[4-(4-Phenylpiperidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-yl]amino]propanoic acid
CID 127028602
3-[[2-(3-Pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
CID 73010924

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid?
The IUPAC name of 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid (CID 67757514) is 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid is O=C(O)CCCNc1ccnc(N2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid?
The InChIKey is VVWPMABGXVWKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(25)7-4-11-20-17-8-12-21-19(22-17)23-13-9-16(10-14-23)15-5-2-1-3-6-15/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,24,25)(H,20,21,22).
What are the key properties of 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid?
4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid has a molecular weight of 340.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]amino]butanoic acid is sourced from PubChem (CID 67757514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).