[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

C19H29N5O2 — CID 72858204

IUPAC[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC(c3nccn3CCOC)C2)c(C)n1
InChIInChI=1S/C19H29N5O2/c1-4-8-24-14-17(15(2)21-24)19(25)23-9-5-6-16(13-23)18-20-7-10-22(18)11-12-26-3/h7,10,14,16H,4-6,8-9,11-13H2,1-3H3
InChIKeyWEGJHIWBTAFMKE-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.46
Rot. Bonds7

About [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 72858204) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID72858204
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCC(c3nccn3CCOC)C2)c(C)n1
InChIInChI=1S/C19H29N5O2/c1-4-8-24-14-17(15(2)21-24)19(25)23-9-5-6-16(13-23)18-20-7-10-22(18)11-12-26-3/h7,10,14,16H,4-6,8-9,11-13H2,1-3H3
InChIKeyWEGJHIWBTAFMKE-UHFFFAOYSA-N
XLogP2.46
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 72858204) is [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCCC(c3nccn3CCOC)C2)c(C)n1.
What is the InChIKey of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is WEGJHIWBTAFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-8-24-14-17(15(2)21-24)19(25)23-9-5-6-16(13-23)18-20-7-10-22(18)11-12-26-3/h7,10,14,16H,4-6,8-9,11-13H2,1-3H3.
What are the key properties of [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone?
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 72858204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).