[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C16H27N3O2 — CID 96576442

IUPAC[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-13(2)19-12-14(11-17-19)16(20)18-9-5-4-7-15(18)8-6-10-21-3/h11-13,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyBWCMCIBQASBKOP-HNNXBMFYSA-N
MW293.41 g/mol
LogP2.89
Rot. Bonds6

About [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 96576442) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID96576442
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCOCCC[C@@H]1CCCCN1C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-13(2)19-12-14(11-17-19)16(20)18-9-5-4-7-15(18)8-6-10-21-3/h11-13,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyBWCMCIBQASBKOP-HNNXBMFYSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
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)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[3-(difluoromethyl)-1-methylpyrazol-4-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 71811402
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70725098
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[2-(3-chloropropyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 63396194
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 96576442) is [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is COCCC[C@@H]1CCCCN1C(=O)c1cnn(C(C)C)c1.
What is the InChIKey of [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is BWCMCIBQASBKOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(2)19-12-14(11-17-19)16(20)18-9-5-4-7-15(18)8-6-10-21-3/h11-13,15H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 96576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).