(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid

C17H24N4O3 — CID 97131412

IUPAC(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C17H24N4O3/c1-2-4-17(16(22)23)5-3-6-21(12-17)15-11-14(18-13-19-15)20-7-9-24-10-8-20/h2,11,13H,1,3-10,12H2,(H,22,23)/t17-/m0/s1
InChIKeyKYCVBRVUMZXCLS-KRWDZBQOSA-N
MW332.40 g/mol
LogP1.56
Rot. Bonds5

About (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid

(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 97131412) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID97131412
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CC[C@]1(C(=O)O)CCCN(c2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C17H24N4O3/c1-2-4-17(16(22)23)5-3-6-21(12-17)15-11-14(18-13-19-15)20-7-9-24-10-8-20/h2,11,13H,1,3-10,12H2,(H,22,23)/t17-/m0/s1
InChIKeyKYCVBRVUMZXCLS-KRWDZBQOSA-N
XLogP1.56
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145078
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
1-(6-cyclopropylpyrimidin-4-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 72895539
(3S)-1-(6-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95551628
1-(5-methylpyrazine-2-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86283011
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
(3R)-1-(5-chlorothiophene-2-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97126715
(3S)-1-(4-methylpiperazine-1-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97120677
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
1-(1,3-benzodioxol-5-ylmethyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 72922657

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid (CID 97131412) is (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid is C=CC[C@]1(C(=O)O)CCCN(c2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is KYCVBRVUMZXCLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-4-17(16(22)23)5-3-6-21(12-17)15-11-14(18-13-19-15)20-7-9-24-10-8-20/h2,11,13H,1,3-10,12H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid?
(3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-morpholin-4-ylpyrimidin-4-yl)-3-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 97131412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).