(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide

C16H28N4O2 — CID 126423565

IUPAC(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCOCCC[C@@H]1CCCCN1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C16H28N4O2/c1-13(2)20-12-14(11-17-20)18-16(21)19-9-5-4-7-15(19)8-6-10-22-3/h11-13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyBNDYFWXLHKJUFF-HNNXBMFYSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds6

About (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide

(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 126423565) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID126423565
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCOCCC[C@@H]1CCCCN1C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C16H28N4O2/c1-13(2)20-12-14(11-17-20)18-16(21)19-9-5-4-7-15(19)8-6-10-22-3/h11-13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyBNDYFWXLHKJUFF-HNNXBMFYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 96576442
2-(2-propan-2-yloxyethyl)-N-(1-prop-2-ynylpyrazol-4-yl)piperidine-1-carboxamide
CID 166281061
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
CID 118763336
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
CID 97279136
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide (CID 126423565) is (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide is COCCC[C@@H]1CCCCN1C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is BNDYFWXLHKJUFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(2)20-12-14(11-17-20)18-16(21)19-9-5-4-7-15(19)8-6-10-22-3/h11-13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide?
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126423565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).