[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C19H30N4O2 — CID 136568086

IUPAC[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cc(CN2CCN(C(=O)C3CCCO3)CC2)c(C2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-21-13-16(18(20-21)15-5-2-3-6-15)14-22-8-10-23(11-9-22)19(24)17-7-4-12-25-17/h13,15,17H,2-12,14H2,1H3
InChIKeyRFHQGTOBPABMFC-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.90
Rot. Bonds4

About [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 136568086) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID136568086
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCn1cc(CN2CCN(C(=O)C3CCCO3)CC2)c(C2CCCC2)n1
InChIInChI=1S/C19H30N4O2/c1-21-13-16(18(20-21)15-5-2-3-6-15)14-22-8-10-23(11-9-22)19(24)17-7-4-12-25-17/h13,15,17H,2-12,14H2,1H3
InChIKeyRFHQGTOBPABMFC-UHFFFAOYSA-N
XLogP1.90
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95311750
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
[(2R)-oxolan-2-yl]-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134714404
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 136568086) is [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is Cn1cc(CN2CCN(C(=O)C3CCCO3)CC2)c(C2CCCC2)n1.
What is the InChIKey of [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is RFHQGTOBPABMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21-13-16(18(20-21)15-5-2-3-6-15)14-22-8-10-23(11-9-22)19(24)17-7-4-12-25-17/h13,15,17H,2-12,14H2,1H3.
What are the key properties of [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 136568086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).