4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid

C12H18N4O2 — CID 165177666

IUPAC4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(c2ncn(C3CC3)n2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H18N4O2/c1-12(4-6-15(7-5-12)11(17)18)10-13-8-16(14-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyRTQTTYWYZGYPPU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds2

About 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid

4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 165177666) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid
PubChem CID165177666
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(c2ncn(C3CC3)n2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H18N4O2/c1-12(4-6-15(7-5-12)11(17)18)10-13-8-16(14-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyRTQTTYWYZGYPPU-UHFFFAOYSA-N
XLogP1.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid (CID 165177666) is 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid is CC1(c2ncn(C3CC3)n2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is RTQTTYWYZGYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(4-6-15(7-5-12)11(17)18)10-13-8-16(14-10)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid?
4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-1,2,4-triazol-3-yl)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 165177666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).