2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine

C18H29N5 — CID 131896236

IUPAC2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCc1nccn1CCC1CCCCN1Cc1cnn(C(C)C)c1
InChIInChI=1S/C18H29N5/c1-15(2)23-14-17(12-20-23)13-22-9-5-4-6-18(22)7-10-21-11-8-19-16(21)3/h8,11-12,14-15,18H,4-7,9-10,13H2,1-3H3
InChIKeySIDZIQOIDJUBCT-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.41
Rot. Bonds6

About 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine

2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (PubChem CID 131896236) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
PubChem CID131896236
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
SMILESCc1nccn1CCC1CCCCN1Cc1cnn(C(C)C)c1
InChIInChI=1S/C18H29N5/c1-15(2)23-14-17(12-20-23)13-22-9-5-4-6-18(22)7-10-21-11-8-19-16(21)3/h8,11-12,14-15,18H,4-7,9-10,13H2,1-3H3
InChIKeySIDZIQOIDJUBCT-UHFFFAOYSA-N
XLogP3.41
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-2-thiophen-2-ylpyrimidine
CID 70728855
3-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 70772970
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
2-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 124842082
5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70712419
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 70732316
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine (CID 131896236) is 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is Cc1nccn1CCC1CCCCN1Cc1cnn(C(C)C)c1.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
The InChIKey is SIDZIQOIDJUBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-15(2)23-14-17(12-20-23)13-22-9-5-4-6-18(22)7-10-21-11-8-19-16(21)3/h8,11-12,14-15,18H,4-7,9-10,13H2,1-3H3.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine?
2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine has a molecular weight of 315.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)ethyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 131896236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).