2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

C20H29N5O2 — CID 67134387

IUPAC2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCC(C)Cn1cc(-c2ccc(N3CCC(CCNC(=O)O)CC3)nc2)cn1
InChIInChI=1S/C20H29N5O2/c1-15(2)13-25-14-18(12-23-25)17-3-4-19(22-11-17)24-9-6-16(7-10-24)5-8-21-20(26)27/h3-4,11-12,14-16,21H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyVFVXJSYNHCRVOJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.48
Rot. Bonds7

About 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 67134387) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID67134387
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
SMILESCC(C)Cn1cc(-c2ccc(N3CCC(CCNC(=O)O)CC3)nc2)cn1
InChIInChI=1S/C20H29N5O2/c1-15(2)13-25-14-18(12-23-25)17-3-4-19(22-11-17)24-9-6-16(7-10-24)5-8-21-20(26)27/h3-4,11-12,14-16,21H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyVFVXJSYNHCRVOJ-UHFFFAOYSA-N
XLogP3.48
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-[1-(2-methylpropyl)pyrazol-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

Related Compounds

2-[1-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67134421
(2-amino-2-oxoethyl) N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 68574069
2-[1-(6-methoxyisoquinolin-3-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136591
[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 123852280
1,3-thiazol-4-ylmethyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 44623659
2-[1-(6-aminopyrazin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136738
2,6-dimethyl-4-[1-(2-methylpropyl)pyrazol-4-yl]benzoic acid
CID 172876929
2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637756
2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
CID 66660711
2-fluoro-4-[3-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-4-yl]propoxy]-N-prop-2-ynylbenzamide
CID 142753193
N-(2-amino-2-oxoethyl)-2,6-difluoro-4-[3-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-4-yl]propoxy]benzamide
CID 142753299
2-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[3-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-4-yl]propoxy]benzamide
CID 142753185

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid (CID 67134387) is 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is CC(C)Cn1cc(-c2ccc(N3CCC(CCNC(=O)O)CC3)nc2)cn1.
What is the InChIKey of 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is VFVXJSYNHCRVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(2)13-25-14-18(12-23-25)17-3-4-19(22-11-17)24-9-6-16(7-10-24)5-8-21-20(26)27/h3-4,11-12,14-16,21H,5-10,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 371.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 67134387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).