2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

C17H23N5O2 — CID 67134421

IUPAC2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCn1cc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-12-14(11-19-21)15-3-2-4-16(20-15)22-9-6-13(7-10-22)5-8-18-17(23)24/h2-4,11-13,18H,5-10H2,1H3,(H,23,24)
InChIKeySKVWVPVZYSRWDZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.36
Rot. Bonds5

About 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 67134421) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID67134421
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCn1cc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cn1
InChIInChI=1S/C17H23N5O2/c1-21-12-14(11-19-21)15-3-2-4-16(20-15)22-9-6-13(7-10-22)5-8-18-17(23)24/h2-4,11-13,18H,5-10H2,1H3,(H,23,24)
InChIKeySKVWVPVZYSRWDZ-UHFFFAOYSA-N
XLogP2.36
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (CID 67134421) is 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is Cn1cc(-c2cccc(N3CCC(CCNC(=O)O)CC3)n2)cn1.
What is the InChIKey of 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is SKVWVPVZYSRWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-12-14(11-19-21)15-3-2-4-16(20-15)22-9-6-13(7-10-22)5-8-18-17(23)24/h2-4,11-13,18H,5-10H2,1H3,(H,23,24).
What are the key properties of 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 329.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67134421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).