2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide

C17H26N4O2 — CID 166281061

IUPAC2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
SMILESC#CCn1cc(NC(=O)N2CCCCC2CCOC(C)C)cn1
InChIInChI=1S/C17H26N4O2/c1-4-9-20-13-15(12-18-20)19-17(22)21-10-6-5-7-16(21)8-11-23-14(2)3/h1,12-14,16H,5-11H2,2-3H3,(H,19,22)
InChIKeyMXGLLVKQFFKHMU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.72
Rot. Bonds6

About 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide

2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 166281061) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID166281061
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
SMILESC#CCn1cc(NC(=O)N2CCCCC2CCOC(C)C)cn1
InChIInChI=1S/C17H26N4O2/c1-4-9-20-13-15(12-18-20)19-17(22)21-10-6-5-7-16(21)8-11-23-14(2)3/h1,12-14,16H,5-11H2,2-3H3,(H,19,22)
InChIKeyMXGLLVKQFFKHMU-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
2-[4-[(2-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61186790
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
(2-propan-2-yl-1H-imidazol-5-yl)-[(2S)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]methanone
CID 96568845
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(1-ethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 94783876
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
2-(1-hydroxycyclopentyl)-1-[2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 71984280
(2R)-2-(hydroxymethyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
CID 97084488
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide (CID 166281061) is 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide is C#CCn1cc(NC(=O)N2CCCCC2CCOC(C)C)cn1.
What is the InChIKey of 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is MXGLLVKQFFKHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-9-20-13-15(12-18-20)19-17(22)21-10-6-5-7-16(21)8-11-23-14(2)3/h1,12-14,16H,5-11H2,2-3H3,(H,19,22).
What are the key properties of 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide?
2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166281061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).