[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

C17H28N4O2 — CID 122148379

IUPAC[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3(CN)CCCC3)CC2)oc1C
InChIInChI=1S/C17H28N4O2/c1-13-14(2)23-15(19-13)11-20-7-9-21(10-8-20)16(22)17(12-18)5-3-4-6-17/h3-12,18H2,1-2H3
InChIKeyUYUVWRQXEUIIQK-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.45
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 122148379) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID122148379
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3(CN)CCCC3)CC2)oc1C
InChIInChI=1S/C17H28N4O2/c1-13-14(2)23-15(19-13)11-20-7-9-21(10-8-20)16(22)17(12-18)5-3-4-6-17/h3-12,18H2,1-2H3
InChIKeyUYUVWRQXEUIIQK-UHFFFAOYSA-N
XLogP1.45
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone (CID 122148379) is [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)C3(CN)CCCC3)CC2)oc1C.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is UYUVWRQXEUIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-14(2)23-15(19-13)11-20-7-9-21(10-8-20)16(22)17(12-18)5-3-4-6-17/h3-12,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 122148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).