2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone

C20H32N8O3 — CID 164635007

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone
SMILESCOCCn1nnnc1[C@]1(N2CCOCC2)CCCN(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C20H32N8O3/c1-16-13-17(2)28(22-16)14-18(29)25-6-4-5-20(15-25,26-7-11-31-12-8-26)19-21-23-24-27(19)9-10-30-3/h13H,4-12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyWHRDCWXOVCDTTJ-FQEVSTJZSA-N
MW432.53 g/mol
LogP-0.02
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone (PubChem CID 164635007) has the molecular formula C20H32N8O3 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone
PubChem CID164635007
Molecular FormulaC20H32N8O3
Molecular Weight432.53 g/mol
Exact Mass432.26
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone
SMILESCOCCn1nnnc1[C@]1(N2CCOCC2)CCCN(C(=O)Cn2nc(C)cc2C)C1
InChIInChI=1S/C20H32N8O3/c1-16-13-17(2)28(22-16)14-18(29)25-6-4-5-20(15-25,26-7-11-31-12-8-26)19-21-23-24-27(19)9-10-30-3/h13H,4-12,14-15H2,1-3H3/t20-/m0/s1
InChIKeyWHRDCWXOVCDTTJ-FQEVSTJZSA-N
XLogP-0.02
TPSA103.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone (CID 164635007) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone is COCCn1nnnc1[C@]1(N2CCOCC2)CCCN(C(=O)Cn2nc(C)cc2C)C1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone?
The InChIKey is WHRDCWXOVCDTTJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H32N8O3/c1-16-13-17(2)28(22-16)14-18(29)25-6-4-5-20(15-25,26-7-11-31-12-8-26)19-21-23-24-27(19)9-10-30-3/h13H,4-12,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone has a molecular weight of 432.53 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[1-(2-methoxyethyl)tetrazol-5-yl]-3-morpholin-4-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 164635007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).